carbanylium;fluoromethane;trimethyl-(2,3,4,5,6-pentafluorophenyl)boranuide

C13H21BF8 — CID 161118161

IUPACcarbanylium;fluoromethane;trimethyl-(2,3,4,5,6-pentafluorophenyl)boranuide
SMILESCF.CF.CF.C[B-](C)(C)c1c(F)c(F)c(F)c(F)c1F.[CH3+]
InChIInChI=1S/C9H9BF5.3CH3F.CH3/c1-10(2,3)4-5(11)7(13)9(15)8(14)6(4)12;3*1-2;/h1-3H3;3*1H3;1H3/q-1;;;;+1
InChIKeyUKPCJXNQRJIQTP-UHFFFAOYSA-N
MW340.11 g/mol
LogP5.13
Rot. Bonds1

About carbanylium;fluoromethane;trimethyl-(2,3,4,5,6-pentafluorophenyl)boranuide

carbanylium;fluoromethane;trimethyl-(2,3,4,5,6-pentafluorophenyl)boranuide (PubChem CID 161118161) has the molecular formula C13H21BF8 and a molecular weight of 340.11 g/mol. Its IUPAC name is carbanylium;fluoromethane;trimethyl-(2,3,4,5,6-pentafluorophenyl)boranuide.

Molecular Properties

Compound Namecarbanylium;fluoromethane;trimethyl-(2,3,4,5,6-pentafluorophenyl)boranuide
PubChem CID161118161
Molecular FormulaC13H21BF8
Molecular Weight340.11 g/mol
Exact Mass340.16
IUPAC Namecarbanylium;fluoromethane;trimethyl-(2,3,4,5,6-pentafluorophenyl)boranuide
SMILESCF.CF.CF.C[B-](C)(C)c1c(F)c(F)c(F)c(F)c1F.[CH3+]
InChIInChI=1S/C9H9BF5.3CH3F.CH3/c1-10(2,3)4-5(11)7(13)9(15)8(14)6(4)12;3*1-2;/h1-3H3;3*1H3;1H3/q-1;;;;+1
InChIKeyUKPCJXNQRJIQTP-UHFFFAOYSA-N
XLogP5.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.11
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

tris(2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)-methylboranuide
CID 101101216
ruthenium(2+);bis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide)
CID 140502353
dilithium;pentakis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide)
CID 173034604
ethylphosphanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
CID 87610045
(dimethylazaniumyl)-tris(2,3,4,5,6-pentafluorophenyl)boranuide
CID 5251562
bis(2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)-bis(2,3,4,5,6-pentafluorophenyl)boranuide
CID 87467756
potassium tetrakis(2,3,4,5-tetrafluoro-6-methoxyphenyl)boranuide
CID 139958531
hydroxy-tris(2,3,4,5,6-pentafluorophenyl)boranuide
CID 5246620
Lithiumtetrakis(pentafluorophenyl)boric acid
CID 86750431
sodium difluoro-bis(2,3,4,5,6-pentafluorophenyl)boranuide
CID 87367197
magnesium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;chloride
CID 175877855
dichloro-bis(2,3,4,5,6-pentafluorophenyl)boranuide
CID 139101899

Frequently Asked Questions

What is the IUPAC name of carbanylium;fluoromethane;trimethyl-(2,3,4,5,6-pentafluorophenyl)boranuide?
The IUPAC name of carbanylium;fluoromethane;trimethyl-(2,3,4,5,6-pentafluorophenyl)boranuide (CID 161118161) is carbanylium;fluoromethane;trimethyl-(2,3,4,5,6-pentafluorophenyl)boranuide.
What is the SMILES notation for carbanylium;fluoromethane;trimethyl-(2,3,4,5,6-pentafluorophenyl)boranuide?
The canonical SMILES for carbanylium;fluoromethane;trimethyl-(2,3,4,5,6-pentafluorophenyl)boranuide is CF.CF.CF.C[B-](C)(C)c1c(F)c(F)c(F)c(F)c1F.[CH3+].
What is the InChIKey of carbanylium;fluoromethane;trimethyl-(2,3,4,5,6-pentafluorophenyl)boranuide?
The InChIKey is UKPCJXNQRJIQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BF5.3CH3F.CH3/c1-10(2,3)4-5(11)7(13)9(15)8(14)6(4)12;3*1-2;/h1-3H3;3*1H3;1H3/q-1;;;;+1.
What are the key properties of carbanylium;fluoromethane;trimethyl-(2,3,4,5,6-pentafluorophenyl)boranuide?
carbanylium;fluoromethane;trimethyl-(2,3,4,5,6-pentafluorophenyl)boranuide has a molecular weight of 340.11 g/mol, XLogP of 5.13, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanylium;fluoromethane;trimethyl-(2,3,4,5,6-pentafluorophenyl)boranuide is sourced from PubChem (CID 161118161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).