2-cyclopropyl-2-(4-fluorophenyl)acetonitrile

C11H10FN — CID 55270127

IUPAC2-cyclopropyl-2-(4-fluorophenyl)acetonitrile
SMILESN#CC(c1ccc(F)cc1)C1CC1
InChIInChI=1S/C11H10FN/c12-10-5-3-9(4-6-10)11(7-13)8-1-2-8/h3-6,8,11H,1-2H2
InChIKeyINCYKXNPANWMIF-UHFFFAOYSA-N
MW175.21 g/mol
LogP2.84
Rot. Bonds2

About 2-cyclopropyl-2-(4-fluorophenyl)acetonitrile

2-cyclopropyl-2-(4-fluorophenyl)acetonitrile (PubChem CID 55270127) has the molecular formula C11H10FN and a molecular weight of 175.21 g/mol. Its IUPAC name is 2-cyclopropyl-2-(4-fluorophenyl)acetonitrile.

Molecular Properties

Compound Name2-cyclopropyl-2-(4-fluorophenyl)acetonitrile
PubChem CID55270127
Molecular FormulaC11H10FN
Molecular Weight175.21 g/mol
Exact Mass175.08
IUPAC Name2-cyclopropyl-2-(4-fluorophenyl)acetonitrile
SMILESN#CC(c1ccc(F)cc1)C1CC1
InChIInChI=1S/C11H10FN/c12-10-5-3-9(4-6-10)11(7-13)8-1-2-8/h3-6,8,11H,1-2H2
InChIKeyINCYKXNPANWMIF-UHFFFAOYSA-N
XLogP2.84
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.21
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-(1-benzylpiperidin-4-yl)-2-(4-fluorophenyl)acetonitrile
CID 129394599
2-(4-chlorophenyl)-2-piperidin-4-ylacetonitrile;hydrochloride
CID 86704279
(2S)-2-cyclohexyl-2-(4-methylphenyl)acetonitrile
CID 51669423
2-cyclopentyl-2-(4-ethylphenyl)acetonitrile
CID 82078345
2-cyclopropyl-2-(4-fluorophenyl)ethanol
CID 82075045
2-cyclopropyl-2-[4-[2-(methylamino)pyrimidin-5-yl]phenyl]acetonitrile
CID 123322334
2-(2-chloro-4-fluorophenyl)-2-cycloheptylacetonitrile
CID 82931142
bis(4-fluorophenyl)methanamine
CID 10955039
(1S,5S)-1,5-dicyclopropyl-1,5-bis(4-fluorophenyl)pentan-3-one
CID 97304327
3-[2-amino-1-(4-fluorophenyl)ethyl]borolane-1-carbonitrile
CID 177194285
N-[cyclopropyl-(4-fluorophenyl)methyl]-4-fluoroaniline
CID 43763011
2-cyclopropyl-2-(3-phenoxyphenyl)acetonitrile
CID 158755181

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(4-fluorophenyl)acetonitrile?
The IUPAC name of 2-cyclopropyl-2-(4-fluorophenyl)acetonitrile (CID 55270127) is 2-cyclopropyl-2-(4-fluorophenyl)acetonitrile.
What is the SMILES notation for 2-cyclopropyl-2-(4-fluorophenyl)acetonitrile?
The canonical SMILES for 2-cyclopropyl-2-(4-fluorophenyl)acetonitrile is N#CC(c1ccc(F)cc1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(4-fluorophenyl)acetonitrile?
The InChIKey is INCYKXNPANWMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN/c12-10-5-3-9(4-6-10)11(7-13)8-1-2-8/h3-6,8,11H,1-2H2.
What are the key properties of 2-cyclopropyl-2-(4-fluorophenyl)acetonitrile?
2-cyclopropyl-2-(4-fluorophenyl)acetonitrile has a molecular weight of 175.21 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(4-fluorophenyl)acetonitrile is sourced from PubChem (CID 55270127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).