potassium [(3S)-2,2-difluoro-3-phenylcyclopropyl]-trifluoroboranuide

C9H7BF5K — CID 155982284

IUPACpotassium [(3S)-2,2-difluoro-3-phenylcyclopropyl]-trifluoroboranuide
SMILESF[B-](F)(F)C1[C@@H](c2ccccc2)C1(F)F.[K+]
InChIInChI=1S/C9H7BF5.K/c11-9(12)7(8(9)10(13,14)15)6-4-2-1-3-5-6;/h1-5,7-8H;/q-1;+1/t7-,8?;/m1./s1
InChIKeyALSHDQKLSZXZAX-PGMKYVDRSA-N
MW260.06 g/mol
LogP0.64
Rot. Bonds2

About potassium [(3S)-2,2-difluoro-3-phenylcyclopropyl]-trifluoroboranuide

potassium [(3S)-2,2-difluoro-3-phenylcyclopropyl]-trifluoroboranuide (PubChem CID 155982284) has the molecular formula C9H7BF5K and a molecular weight of 260.06 g/mol. Its IUPAC name is potassium [(3S)-2,2-difluoro-3-phenylcyclopropyl]-trifluoroboranuide.

Molecular Properties

Compound Namepotassium [(3S)-2,2-difluoro-3-phenylcyclopropyl]-trifluoroboranuide
PubChem CID155982284
Molecular FormulaC9H7BF5K
Molecular Weight260.06 g/mol
Exact Mass260.02
IUPAC Namepotassium [(3S)-2,2-difluoro-3-phenylcyclopropyl]-trifluoroboranuide
SMILESF[B-](F)(F)C1[C@@H](c2ccccc2)C1(F)F.[K+]
InChIInChI=1S/C9H7BF5.K/c11-9(12)7(8(9)10(13,14)15)6-4-2-1-3-5-6;/h1-5,7-8H;/q-1;+1/t7-,8?;/m1./s1
InChIKeyALSHDQKLSZXZAX-PGMKYVDRSA-N
XLogP0.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.06
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(2,2-difluoro-3-phenylcyclopropyl)-phenylmethanone
CID 11128981
(2,2-difluoro-3-phenylcyclopropyl)methanol
CID 13201699
[(1S,3S)-2,2-difluoro-3-phenylcyclopropyl]methanamine
CID 129394187
cis-(1R,3S)-2,2-difluoro-3-phenylcyclopropane-1-carboxylic acid
CID 95241079
[(1R,3R)-2,2-dibromo-3-phenylcyclopropyl]benzene
CID 13149947
benzyl(phenyl)iodanium tetrafluoroborate
CID 134880627
[(1S,3R)-2,3-diphenyl-2-(1,2,3-triphenylcycloprop-2-en-1-yl)cyclopropyl]benzene
CID 101078426
(2,2,4-trimethyl-3-phenylcyclobutyl)benzene
CID 175871600
trifluoro(phenyliodoniooxy)boranuide
CID 102328105
[3-(4-bromophenyl)-2,2-difluorocyclopropyl]-phenylmethanone
CID 102108070
potassium trifluoro-(3-phenyl-2-bicyclo[2.2.1]heptanyl)boranuide
CID 121225738
(2-chloro-2,3-dimethylcyclopropyl)benzene
CID 589290

Frequently Asked Questions

What is the IUPAC name of potassium [(3S)-2,2-difluoro-3-phenylcyclopropyl]-trifluoroboranuide?
The IUPAC name of potassium [(3S)-2,2-difluoro-3-phenylcyclopropyl]-trifluoroboranuide (CID 155982284) is potassium [(3S)-2,2-difluoro-3-phenylcyclopropyl]-trifluoroboranuide.
What is the SMILES notation for potassium [(3S)-2,2-difluoro-3-phenylcyclopropyl]-trifluoroboranuide?
The canonical SMILES for potassium [(3S)-2,2-difluoro-3-phenylcyclopropyl]-trifluoroboranuide is F[B-](F)(F)C1[C@@H](c2ccccc2)C1(F)F.[K+].
What is the InChIKey of potassium [(3S)-2,2-difluoro-3-phenylcyclopropyl]-trifluoroboranuide?
The InChIKey is ALSHDQKLSZXZAX-PGMKYVDRSA-N. The full InChI is InChI=1S/C9H7BF5.K/c11-9(12)7(8(9)10(13,14)15)6-4-2-1-3-5-6;/h1-5,7-8H;/q-1;+1/t7-,8?;/m1./s1.
What are the key properties of potassium [(3S)-2,2-difluoro-3-phenylcyclopropyl]-trifluoroboranuide?
potassium [(3S)-2,2-difluoro-3-phenylcyclopropyl]-trifluoroboranuide has a molecular weight of 260.06 g/mol, XLogP of 0.64, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for potassium [(3S)-2,2-difluoro-3-phenylcyclopropyl]-trifluoroboranuide is sourced from PubChem (CID 155982284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).