lithium cyano-difluoro-(1,1,2,2,3,3,3-heptafluoropropyl)boranuide

C4BF9LiN — CID 89251326

IUPAClithium cyano-difluoro-(1,1,2,2,3,3,3-heptafluoropropyl)boranuide
SMILESN#C[B-](F)(F)C(F)(F)C(F)(F)C(F)(F)F.[Li+]
InChIInChI=1S/C4BF9N.Li/c6-2(7,4(10,11)12)3(8,9)5(13,14)1-15;/q-1;+1
InChIKeyUCCZPNKRJYYHIE-UHFFFAOYSA-N
MW250.79 g/mol
LogP-0.19
Rot. Bonds2

About lithium cyano-difluoro-(1,1,2,2,3,3,3-heptafluoropropyl)boranuide

lithium cyano-difluoro-(1,1,2,2,3,3,3-heptafluoropropyl)boranuide (PubChem CID 89251326) has the molecular formula C4BF9LiN and a molecular weight of 250.79 g/mol. Its IUPAC name is lithium cyano-difluoro-(1,1,2,2,3,3,3-heptafluoropropyl)boranuide.

Molecular Properties

Compound Namelithium cyano-difluoro-(1,1,2,2,3,3,3-heptafluoropropyl)boranuide
PubChem CID89251326
Molecular FormulaC4BF9LiN
Molecular Weight250.79 g/mol
Exact Mass251.01
IUPAC Namelithium cyano-difluoro-(1,1,2,2,3,3,3-heptafluoropropyl)boranuide
SMILESN#C[B-](F)(F)C(F)(F)C(F)(F)C(F)(F)F.[Li+]
InChIInChI=1S/C4BF9N.Li/c6-2(7,4(10,11)12)3(8,9)5(13,14)1-15;/q-1;+1
InChIKeyUCCZPNKRJYYHIE-UHFFFAOYSA-N
XLogP-0.19
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.79
LogP ≤ 5-0.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

sodium cyano-difluoro-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)boranuide
CID 89251497
lithium tricyano(1,1,2,2,3,3,3-heptafluoropropyl)boranuide
CID 89251308
sodium dicyano-fluoro-(1,1,2,2,3,3,3-heptafluoropropyl)boranuide
CID 89251127
rubidium(1+);tricyano(1,1,2,2,2-pentafluoroethyl)boranuide
CID 89251934
difluoro-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)boranuide
CID 102079519
1,1,1,2,2,3,3,3-octafluoropropane
CID 6432
cyano-tris(trifluoromethyl)boranuide
CID 87174075
CID 175811708
CID 175811708
1,1,1,2,2,3,3,4,4,4-decafluorobutane;hydrofluoride
CID 175814235
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
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
dicyano-fluoro-(1,1,2,2,2-pentafluoroethyl)boranuide;tetrabutylazanium
CID 89251352

Frequently Asked Questions

What is the IUPAC name of lithium cyano-difluoro-(1,1,2,2,3,3,3-heptafluoropropyl)boranuide?
The IUPAC name of lithium cyano-difluoro-(1,1,2,2,3,3,3-heptafluoropropyl)boranuide (CID 89251326) is lithium cyano-difluoro-(1,1,2,2,3,3,3-heptafluoropropyl)boranuide.
What is the SMILES notation for lithium cyano-difluoro-(1,1,2,2,3,3,3-heptafluoropropyl)boranuide?
The canonical SMILES for lithium cyano-difluoro-(1,1,2,2,3,3,3-heptafluoropropyl)boranuide is N#C[B-](F)(F)C(F)(F)C(F)(F)C(F)(F)F.[Li+].
What is the InChIKey of lithium cyano-difluoro-(1,1,2,2,3,3,3-heptafluoropropyl)boranuide?
The InChIKey is UCCZPNKRJYYHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4BF9N.Li/c6-2(7,4(10,11)12)3(8,9)5(13,14)1-15;/q-1;+1.
What are the key properties of lithium cyano-difluoro-(1,1,2,2,3,3,3-heptafluoropropyl)boranuide?
lithium cyano-difluoro-(1,1,2,2,3,3,3-heptafluoropropyl)boranuide has a molecular weight of 250.79 g/mol, XLogP of -0.19, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium cyano-difluoro-(1,1,2,2,3,3,3-heptafluoropropyl)boranuide is sourced from PubChem (CID 89251326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).