2-fluoro-2-[3-fluoro-4-(4-fluorophenyl)phenyl]acetonitrile

C14H8F3N — CID 52936714

IUPAC2-fluoro-2-[3-fluoro-4-(4-fluorophenyl)phenyl]acetonitrile
SMILESN#CC(F)c1ccc(-c2ccc(F)cc2)c(F)c1
InChIInChI=1S/C14H8F3N/c15-11-4-1-9(2-5-11)12-6-3-10(7-13(12)16)14(17)8-18/h1-7,14H
InChIKeyRWRSKDMTLJJNPT-UHFFFAOYSA-N
MW247.22 g/mol
LogP4.17
Rot. Bonds2

About 2-fluoro-2-[3-fluoro-4-(4-fluorophenyl)phenyl]acetonitrile

2-fluoro-2-[3-fluoro-4-(4-fluorophenyl)phenyl]acetonitrile (PubChem CID 52936714) has the molecular formula C14H8F3N and a molecular weight of 247.22 g/mol. Its IUPAC name is 2-fluoro-2-[3-fluoro-4-(4-fluorophenyl)phenyl]acetonitrile.

Molecular Properties

Compound Name2-fluoro-2-[3-fluoro-4-(4-fluorophenyl)phenyl]acetonitrile
PubChem CID52936714
Molecular FormulaC14H8F3N
Molecular Weight247.22 g/mol
Exact Mass247.06
IUPAC Name2-fluoro-2-[3-fluoro-4-(4-fluorophenyl)phenyl]acetonitrile
SMILESN#CC(F)c1ccc(-c2ccc(F)cc2)c(F)c1
InChIInChI=1S/C14H8F3N/c15-11-4-1-9(2-5-11)12-6-3-10(7-13(12)16)14(17)8-18/h1-7,14H
InChIKeyRWRSKDMTLJJNPT-UHFFFAOYSA-N
XLogP4.17
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 ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-[3-fluoro-4-(4-fluorophenyl)phenyl]acetonitrile?
The IUPAC name of 2-fluoro-2-[3-fluoro-4-(4-fluorophenyl)phenyl]acetonitrile (CID 52936714) is 2-fluoro-2-[3-fluoro-4-(4-fluorophenyl)phenyl]acetonitrile.
What is the SMILES notation for 2-fluoro-2-[3-fluoro-4-(4-fluorophenyl)phenyl]acetonitrile?
The canonical SMILES for 2-fluoro-2-[3-fluoro-4-(4-fluorophenyl)phenyl]acetonitrile is N#CC(F)c1ccc(-c2ccc(F)cc2)c(F)c1.
What is the InChIKey of 2-fluoro-2-[3-fluoro-4-(4-fluorophenyl)phenyl]acetonitrile?
The InChIKey is RWRSKDMTLJJNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3N/c15-11-4-1-9(2-5-11)12-6-3-10(7-13(12)16)14(17)8-18/h1-7,14H.
What are the key properties of 2-fluoro-2-[3-fluoro-4-(4-fluorophenyl)phenyl]acetonitrile?
2-fluoro-2-[3-fluoro-4-(4-fluorophenyl)phenyl]acetonitrile has a molecular weight of 247.22 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-[3-fluoro-4-(4-fluorophenyl)phenyl]acetonitrile is sourced from PubChem (CID 52936714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).