Research chemical
CAS Number: 101913-86-4
Product details
For laboratory research and professional procurement workflows.
PubChem CID
59098
Exact Mass
592.253431
InChIKey
NQLSKSUBOBVYGL-UHFFFAOYSA-P
IUPAC Name
1,1,1,7,7,7-hexafluoro-4-oxo-2,6-bis(trifluoromethyl)heptane-2,6-diolate;bis(triethylazanium)
SMILES String
CC[NH+](CC)CC.CC[NH+](CC)CC.C(C(=O)CC(C(F)(F)F)(C(F)(F)F)[O-])C(C(F)(F)F)(C(F)(F)F)[O-]
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.
4-heptanone, 2,6-bis(trifluoromethyl)-2,6-dihydroxy-1,1,1,7,7,7-hexafluoro-, bis(triethylamine)salt is identified by CAS 101913-86-4, with molecular formula C21H36F12N2O3, molecular weight 592.5, InChIKey NQLSKSUBOBVYGL-UHFFFAOYSA-P.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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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
38
H-bond acceptors
5
H-bond donors
2
Rotatable bonds
10
Ring count
0
Aromatic rings
0
Topological polar surface area
72.07 Ų
Computed LogP
1.65
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
Yes
Structure family
organic nitrogen ligand candidate
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
N-heterocycle motif
No
Boronic acid motif
No
Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.
Structural features
4-heptanone, 2,6-bis(trifluoromethyl)-2,6-dihydroxy-1,1,1,7,7,7-hexafluoro-, bis(triethylamine)salt (CAS 101913-86-4) is maintained as a commercial cas reference with formula C21H36F12N2O3, molecular weight 592. 50 g/mol, PubChem CID 59098.
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 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.