lithium tricyano(1,1,2,2,3,3,3-heptafluoropropyl)boranuide

C6BF7LiN3 — CID 89251308

IUPAClithium tricyano(1,1,2,2,3,3,3-heptafluoropropyl)boranuide
SMILESN#C[B-](C#N)(C#N)C(F)(F)C(F)(F)C(F)(F)F.[Li+]
InChIInChI=1S/C6BF7N3.Li/c8-4(9,6(12,13)14)5(10,11)7(1-15,2-16)3-17;/q-1;+1
InChIKeySNXHYYCMUCMETN-UHFFFAOYSA-N
MW264.83 g/mol
LogP-1.00
Rot. Bonds2

About lithium tricyano(1,1,2,2,3,3,3-heptafluoropropyl)boranuide

lithium tricyano(1,1,2,2,3,3,3-heptafluoropropyl)boranuide (PubChem CID 89251308) has the molecular formula C6BF7LiN3 and a molecular weight of 264.83 g/mol. Its IUPAC name is lithium tricyano(1,1,2,2,3,3,3-heptafluoropropyl)boranuide.

Molecular Properties

Compound Namelithium tricyano(1,1,2,2,3,3,3-heptafluoropropyl)boranuide
PubChem CID89251308
Molecular FormulaC6BF7LiN3
Molecular Weight264.83 g/mol
Exact Mass265.02
IUPAC Namelithium tricyano(1,1,2,2,3,3,3-heptafluoropropyl)boranuide
SMILESN#C[B-](C#N)(C#N)C(F)(F)C(F)(F)C(F)(F)F.[Li+]
InChIInChI=1S/C6BF7N3.Li/c8-4(9,6(12,13)14)5(10,11)7(1-15,2-16)3-17;/q-1;+1
InChIKeySNXHYYCMUCMETN-UHFFFAOYSA-N
XLogP-1.00
TPSA71.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.83
LogP ≤ 5-1.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

lithium cyano-difluoro-(1,1,2,2,3,3,3-heptafluoropropyl)boranuide
CID 89251326
rubidium(1+);tricyano(1,1,2,2,2-pentafluoroethyl)boranuide
CID 89251934
sodium dicyano-fluoro-(1,1,2,2,3,3,3-heptafluoropropyl)boranuide
CID 89251127
sodium cyano-difluoro-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)boranuide
CID 89251497
1,1,1,2,2,3,3,3-octafluoropropane
CID 6432
cyano-tris(trifluoromethyl)boranuide
CID 87174075
sodium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecan-1-olate
CID 176897459
difluoro-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)boranuide
CID 102079519
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-hexadecafluoroheptane;1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluorohexane
CID 22712913
CID 175811708
CID 175811708
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,21-tetratetracontafluorohenicosane
CID 141072652
1,1,1,2,2,3,3,4,4,4-decafluorobutane;hydrofluoride
CID 175814235

Frequently Asked Questions

What is the IUPAC name of lithium tricyano(1,1,2,2,3,3,3-heptafluoropropyl)boranuide?
The IUPAC name of lithium tricyano(1,1,2,2,3,3,3-heptafluoropropyl)boranuide (CID 89251308) is lithium tricyano(1,1,2,2,3,3,3-heptafluoropropyl)boranuide.
What is the SMILES notation for lithium tricyano(1,1,2,2,3,3,3-heptafluoropropyl)boranuide?
The canonical SMILES for lithium tricyano(1,1,2,2,3,3,3-heptafluoropropyl)boranuide is N#C[B-](C#N)(C#N)C(F)(F)C(F)(F)C(F)(F)F.[Li+].
What is the InChIKey of lithium tricyano(1,1,2,2,3,3,3-heptafluoropropyl)boranuide?
The InChIKey is SNXHYYCMUCMETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6BF7N3.Li/c8-4(9,6(12,13)14)5(10,11)7(1-15,2-16)3-17;/q-1;+1.
What are the key properties of lithium tricyano(1,1,2,2,3,3,3-heptafluoropropyl)boranuide?
lithium tricyano(1,1,2,2,3,3,3-heptafluoropropyl)boranuide has a molecular weight of 264.83 g/mol, XLogP of -1.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium tricyano(1,1,2,2,3,3,3-heptafluoropropyl)boranuide is sourced from PubChem (CID 89251308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).