2-[4-(3-chloro-4-fluorophenyl)-2-fluorophenyl]acetonitrile

C14H8ClF2N — CID 175670145

IUPAC2-[4-(3-chloro-4-fluorophenyl)-2-fluorophenyl]acetonitrile
SMILESN#CCc1ccc(-c2ccc(F)c(Cl)c2)cc1F
InChIInChI=1S/C14H8ClF2N/c15-12-7-10(3-4-13(12)16)11-2-1-9(5-6-18)14(17)8-11/h1-4,7-8H,5H2
InChIKeyGRHDGCXJSJCBSU-UHFFFAOYSA-N
MW263.67 g/mol
LogP4.35
Rot. Bonds2

About 2-[4-(3-chloro-4-fluorophenyl)-2-fluorophenyl]acetonitrile

2-[4-(3-chloro-4-fluorophenyl)-2-fluorophenyl]acetonitrile (PubChem CID 175670145) has the molecular formula C14H8ClF2N and a molecular weight of 263.67 g/mol. Its IUPAC name is 2-[4-(3-chloro-4-fluorophenyl)-2-fluorophenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-(3-chloro-4-fluorophenyl)-2-fluorophenyl]acetonitrile
PubChem CID175670145
Molecular FormulaC14H8ClF2N
Molecular Weight263.67 g/mol
Exact Mass263.03
IUPAC Name2-[4-(3-chloro-4-fluorophenyl)-2-fluorophenyl]acetonitrile
SMILESN#CCc1ccc(-c2ccc(F)c(Cl)c2)cc1F
InChIInChI=1S/C14H8ClF2N/c15-12-7-10(3-4-13(12)16)11-2-1-9(5-6-18)14(17)8-11/h1-4,7-8H,5H2
InChIKeyGRHDGCXJSJCBSU-UHFFFAOYSA-N
XLogP4.35
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.67
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,5-dichloro-4-fluorophenyl)acetonitrile
CID 84777673
2-(2,4-dichloro-5-fluorophenyl)acetonitrile
CID 2774021
2-[3-chloro-5-(4-chloro-3-fluorophenyl)phenyl]acetonitrile
CID 175670067
3-chloro-5-(3-chloro-4-fluorophenyl)benzonitrile
CID 172993860
[4-(3,4-dichlorophenyl)-2-fluorophenyl]methanol
CID 118801795
1-(3-chloro-4-fluorophenyl)-3,5-difluorobenzene
CID 142366576
2-(2,4-dichloro-3-fluorophenyl)acetonitrile
CID 119020930
5-chloro-2-(cyanomethyl)benzonitrile
CID 12668062
3-[4-(cyanomethyl)-3-fluorophenyl]-2,3-dihydroxypropanoic acid
CID 170824371
2-chloro-4-(3-chloro-4-fluorophenyl)aniline
CID 107607731
2-[4-[4-(cyanomethyl)-3-fluorophenyl]pyrazol-1-yl]-N,N-dimethylacetamide
CID 175670183
3-(3-chloro-4-fluorophenyl)butanenitrile
CID 83637580

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chloro-4-fluorophenyl)-2-fluorophenyl]acetonitrile?
The IUPAC name of 2-[4-(3-chloro-4-fluorophenyl)-2-fluorophenyl]acetonitrile (CID 175670145) is 2-[4-(3-chloro-4-fluorophenyl)-2-fluorophenyl]acetonitrile.
What is the SMILES notation for 2-[4-(3-chloro-4-fluorophenyl)-2-fluorophenyl]acetonitrile?
The canonical SMILES for 2-[4-(3-chloro-4-fluorophenyl)-2-fluorophenyl]acetonitrile is N#CCc1ccc(-c2ccc(F)c(Cl)c2)cc1F.
What is the InChIKey of 2-[4-(3-chloro-4-fluorophenyl)-2-fluorophenyl]acetonitrile?
The InChIKey is GRHDGCXJSJCBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF2N/c15-12-7-10(3-4-13(12)16)11-2-1-9(5-6-18)14(17)8-11/h1-4,7-8H,5H2.
What are the key properties of 2-[4-(3-chloro-4-fluorophenyl)-2-fluorophenyl]acetonitrile?
2-[4-(3-chloro-4-fluorophenyl)-2-fluorophenyl]acetonitrile has a molecular weight of 263.67 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chloro-4-fluorophenyl)-2-fluorophenyl]acetonitrile is sourced from PubChem (CID 175670145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).