Research chemical
CAS Number: 1318249-54-5
![(R)-5-Cyclohexyl-2-(perfluorophenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-2-ium tetrafluoroborate molecular structure, CAS 1318249-54-5](/structure-images/1318249-54-5.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
54756551
Exact Mass
445.137181
InChIKey
WCBQMSSQYUSATQ-HNCPQSOCSA-N
IUPAC Name
(5R)-5-cyclohexyl-2-(2,3,4,5,6-pentafluorophenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-4-ium tetrafluoroborate
SMILES String
F[B-](F)(F)F.Fc1c(F)c(F)c(-[n+]2cn3c(n2)CC[C@@H]3C2CCCCC2)c(F)c1F
No physical property values available.
Catalog navigation
Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.
(R)-5-Cyclohexyl-2-(perfluorophenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-2-ium tetrafluoroborate is identified by CAS 1318249-54-5, with molecular formula C17H17BF9N3, molecular weight 445.1, InChIKey WCBQMSSQYUSATQ-HNCPQSOCSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Availability, pack size, lead time, and pricing are confirmed through RFQ.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
30
H-bond acceptors
3
H-bond donors
0
Rotatable bonds
2
Ring count
4
Aromatic rings
2
Topological polar surface area
21.7 Ų
Computed LogP
5.22
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
Yes
Structure family
n heterocycle ligand
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
N-heterocycle motif
Yes
Boronic acid motif
Yes
Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.
Structural features
(R)-5-Cyclohexyl-2-(perfluorophenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-2-ium tetrafluoroborate (CAS 1318249-54-5) is maintained as a commercial cas reference with formula C17H17BF9N3, molecular weight 445. 10 g/mol, PubChem CID 54756551.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page for CAS identity lookup, internal catalog search, and commercial discovery workflows; structure-derived tags include nitrogen-containing heterocycle, boronic-acid-related structure, drug-like rule profile.
Documentation needs
Review supplier documentation before handling; for research use only.
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.