difluoro-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)boranuide

C8BF20- — CID 102079519

IUPACdifluoro-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)boranuide
SMILESF[B-](F)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8BF20/c10-1(11,3(14,15)7(22,23)24)5(18,19)9(28,29)6(20,21)2(12,13)4(16,17)8(25,26)27/q-1
InChIKeyITDUYSOBBMUXRQ-UHFFFAOYSA-N
MW486.86 g/mol
LogP6.38
Rot. Bonds6

About difluoro-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)boranuide

difluoro-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)boranuide (PubChem CID 102079519) has the molecular formula C8BF20- and a molecular weight of 486.86 g/mol. Its IUPAC name is difluoro-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)boranuide.

Molecular Properties

Compound Namedifluoro-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)boranuide
PubChem CID102079519
Molecular FormulaC8BF20-
Molecular Weight486.86 g/mol
Exact Mass486.98
IUPAC Namedifluoro-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)boranuide
SMILESF[B-](F)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8BF20/c10-1(11,3(14,15)7(22,23)24)5(18,19)9(28,29)6(20,21)2(12,13)4(16,17)8(25,26)27/q-1
InChIKeyITDUYSOBBMUXRQ-UHFFFAOYSA-N
XLogP6.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.86
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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
1,1,1,2,2,3,3,4,4,4-decafluorobutane;hydrofluoride
CID 175814235
CID 175811708
CID 175811708
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
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-octadecafluorooctane;hydrochloride
CID 172708323
1,1,1,2,2,3,3,3-octafluoropropane
CID 6432
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
lithium cyano-difluoro-(1,1,2,2,3,3,3-heptafluoropropyl)boranuide
CID 89251326
sodium 1,1,1,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-icosafluoro-2-(trifluoromethyl)decan-2-olate
CID 23682889
sodium dicyano-fluoro-(1,1,2,2,3,3,3-heptafluoropropyl)boranuide
CID 89251127
CID 22349056
CID 22349056

Frequently Asked Questions

What is the IUPAC name of difluoro-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)boranuide?
The IUPAC name of difluoro-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)boranuide (CID 102079519) is difluoro-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)boranuide.
What is the SMILES notation for difluoro-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)boranuide?
The canonical SMILES for difluoro-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)boranuide is F[B-](F)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of difluoro-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)boranuide?
The InChIKey is ITDUYSOBBMUXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8BF20/c10-1(11,3(14,15)7(22,23)24)5(18,19)9(28,29)6(20,21)2(12,13)4(16,17)8(25,26)27/q-1.
What are the key properties of difluoro-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)boranuide?
difluoro-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)boranuide has a molecular weight of 486.86 g/mol, XLogP of 6.38, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for difluoro-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)boranuide is sourced from PubChem (CID 102079519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).