(2S)-2-(4-chlorophenyl)-2-(4-fluorophenyl)acetonitrile

C14H9ClFN — CID 129390473

IUPAC(2S)-2-(4-chlorophenyl)-2-(4-fluorophenyl)acetonitrile
SMILESN#C[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C14H9ClFN/c15-12-5-1-10(2-6-12)14(9-17)11-3-7-13(16)8-4-11/h1-8,14H/t14-/m1/s1
InChIKeyJEGBIVCKZOIQPW-CQSZACIVSA-N
MW245.68 g/mol
LogP4.13
Rot. Bonds2

About (2S)-2-(4-chlorophenyl)-2-(4-fluorophenyl)acetonitrile

(2S)-2-(4-chlorophenyl)-2-(4-fluorophenyl)acetonitrile (PubChem CID 129390473) has the molecular formula C14H9ClFN and a molecular weight of 245.68 g/mol. Its IUPAC name is (2S)-2-(4-chlorophenyl)-2-(4-fluorophenyl)acetonitrile.

Molecular Properties

Compound Name(2S)-2-(4-chlorophenyl)-2-(4-fluorophenyl)acetonitrile
PubChem CID129390473
Molecular FormulaC14H9ClFN
Molecular Weight245.68 g/mol
Exact Mass245.04
IUPAC Name(2S)-2-(4-chlorophenyl)-2-(4-fluorophenyl)acetonitrile
SMILESN#C[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C14H9ClFN/c15-12-5-1-10(2-6-12)14(9-17)11-3-7-13(16)8-4-11/h1-8,14H/t14-/m1/s1
InChIKeyJEGBIVCKZOIQPW-CQSZACIVSA-N
XLogP4.13
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.68
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-fluorophenyl)-2-(2,3,5,6-tetrafluorophenyl)acetonitrile
CID 122231539
2-[(4-chlorophenyl)methylamino]-2-(4-fluorophenyl)acetonitrile
CID 82019785
2-[(S)-cyano-(4-fluorophenyl)methyl]-6-fluorobenzonitrile
CID 6933606
2-(4-chlorophenyl)-2-[2-(4-fluorophenyl)ethylamino]acetonitrile
CID 82019907
(2R)-2-(4-bromophenyl)-2-[4-(4-fluorobenzoyl)phenyl]acetonitrile
CID 1488458
1-chloro-4-[2,2,2-trichloro-1-(4-fluorophenyl)ethyl]benzene
CID 91216273
2-(3,5-dichlorophenyl)-2-(4-methylphenyl)acetonitrile
CID 175435840
(1S)-N-[1-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81348104
[(4-chlorophenyl)-(4-fluorophenyl)methyl]hydrazine
CID 105192695
1-chloro-4-fluorobenzene;isocyanic acid
CID 88592426
1-chloro-4-[1-(4-fluorophenyl)butyl]benzene
CID 143326829
(2S)-2-(4-amino-2-chloro-5-methylphenyl)-2-(4-chlorophenyl)acetonitrile
CID 736102

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chlorophenyl)-2-(4-fluorophenyl)acetonitrile?
The IUPAC name of (2S)-2-(4-chlorophenyl)-2-(4-fluorophenyl)acetonitrile (CID 129390473) is (2S)-2-(4-chlorophenyl)-2-(4-fluorophenyl)acetonitrile.
What is the SMILES notation for (2S)-2-(4-chlorophenyl)-2-(4-fluorophenyl)acetonitrile?
The canonical SMILES for (2S)-2-(4-chlorophenyl)-2-(4-fluorophenyl)acetonitrile is N#C[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1.
What is the InChIKey of (2S)-2-(4-chlorophenyl)-2-(4-fluorophenyl)acetonitrile?
The InChIKey is JEGBIVCKZOIQPW-CQSZACIVSA-N. The full InChI is InChI=1S/C14H9ClFN/c15-12-5-1-10(2-6-12)14(9-17)11-3-7-13(16)8-4-11/h1-8,14H/t14-/m1/s1.
What are the key properties of (2S)-2-(4-chlorophenyl)-2-(4-fluorophenyl)acetonitrile?
(2S)-2-(4-chlorophenyl)-2-(4-fluorophenyl)acetonitrile has a molecular weight of 245.68 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chlorophenyl)-2-(4-fluorophenyl)acetonitrile is sourced from PubChem (CID 129390473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).