2-[4-(2,3-difluorophenyl)-3-fluorophenyl]acetonitrile

C14H8F3N — CID 119005603

IUPAC2-[4-(2,3-difluorophenyl)-3-fluorophenyl]acetonitrile
SMILESN#CCc1ccc(-c2cccc(F)c2F)c(F)c1
InChIInChI=1S/C14H8F3N/c15-12-3-1-2-11(14(12)17)10-5-4-9(6-7-18)8-13(10)16/h1-5,8H,6H2
InChIKeyNCEFWPRNEOEAAZ-UHFFFAOYSA-N
MW247.22 g/mol
LogP3.84
Rot. Bonds2

About 2-[4-(2,3-difluorophenyl)-3-fluorophenyl]acetonitrile

2-[4-(2,3-difluorophenyl)-3-fluorophenyl]acetonitrile (PubChem CID 119005603) has the molecular formula C14H8F3N and a molecular weight of 247.22 g/mol. Its IUPAC name is 2-[4-(2,3-difluorophenyl)-3-fluorophenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-(2,3-difluorophenyl)-3-fluorophenyl]acetonitrile
PubChem CID119005603
Molecular FormulaC14H8F3N
Molecular Weight247.22 g/mol
Exact Mass247.06
IUPAC Name2-[4-(2,3-difluorophenyl)-3-fluorophenyl]acetonitrile
SMILESN#CCc1ccc(-c2cccc(F)c2F)c(F)c1
InChIInChI=1S/C14H8F3N/c15-12-3-1-2-11(14(12)17)10-5-4-9(6-7-18)8-13(10)16/h1-5,8H,6H2
InChIKeyNCEFWPRNEOEAAZ-UHFFFAOYSA-N
XLogP3.84
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-difluorophenyl)-3-fluorophenyl]acetonitrile?
The IUPAC name of 2-[4-(2,3-difluorophenyl)-3-fluorophenyl]acetonitrile (CID 119005603) is 2-[4-(2,3-difluorophenyl)-3-fluorophenyl]acetonitrile.
What is the SMILES notation for 2-[4-(2,3-difluorophenyl)-3-fluorophenyl]acetonitrile?
The canonical SMILES for 2-[4-(2,3-difluorophenyl)-3-fluorophenyl]acetonitrile is N#CCc1ccc(-c2cccc(F)c2F)c(F)c1.
What is the InChIKey of 2-[4-(2,3-difluorophenyl)-3-fluorophenyl]acetonitrile?
The InChIKey is NCEFWPRNEOEAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3N/c15-12-3-1-2-11(14(12)17)10-5-4-9(6-7-18)8-13(10)16/h1-5,8H,6H2.
What are the key properties of 2-[4-(2,3-difluorophenyl)-3-fluorophenyl]acetonitrile?
2-[4-(2,3-difluorophenyl)-3-fluorophenyl]acetonitrile has a molecular weight of 247.22 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-difluorophenyl)-3-fluorophenyl]acetonitrile is sourced from PubChem (CID 119005603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).