2-anilino-2-(3,4-difluorophenyl)acetonitrile

C14H10F2N2 — CID 54886668

IUPAC2-anilino-2-(3,4-difluorophenyl)acetonitrile
SMILESN#CC(Nc1ccccc1)c1ccc(F)c(F)c1
InChIInChI=1S/C14H10F2N2/c15-12-7-6-10(8-13(12)16)14(9-17)18-11-4-2-1-3-5-11/h1-8,14,18H
InChIKeyITARXHSSOMPGKK-UHFFFAOYSA-N
MW244.24 g/mol
LogP3.64
Rot. Bonds3

About 2-anilino-2-(3,4-difluorophenyl)acetonitrile

2-anilino-2-(3,4-difluorophenyl)acetonitrile (PubChem CID 54886668) has the molecular formula C14H10F2N2 and a molecular weight of 244.24 g/mol. Its IUPAC name is 2-anilino-2-(3,4-difluorophenyl)acetonitrile.

Molecular Properties

Compound Name2-anilino-2-(3,4-difluorophenyl)acetonitrile
PubChem CID54886668
Molecular FormulaC14H10F2N2
Molecular Weight244.24 g/mol
Exact Mass244.08
IUPAC Name2-anilino-2-(3,4-difluorophenyl)acetonitrile
SMILESN#CC(Nc1ccccc1)c1ccc(F)c(F)c1
InChIInChI=1S/C14H10F2N2/c15-12-7-6-10(8-13(12)16)14(9-17)18-11-4-2-1-3-5-11/h1-8,14,18H
InChIKeyITARXHSSOMPGKK-UHFFFAOYSA-N
XLogP3.64
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-difluorophenyl)-2-(4-fluoroanilino)acetonitrile
CID 54886674
2-anilino-2-[3-(difluoromethyl)phenyl]acetonitrile
CID 115526966
2-(4-chloroanilino)-2-(4-fluoro-3-methylphenyl)acetonitrile
CID 62121850
2-anilino-2-(4-propan-2-ylphenyl)acetonitrile
CID 54886538
(2R)-2-anilino-2-(4-hydroxyphenyl)acetonitrile
CID 93003138
2-anilino-2-(3-hydroxyphenyl)acetonitrile
CID 2771792
2-(3-fluoroanilino)-2-(3-fluoro-4-hydroxyphenyl)acetonitrile
CID 107686150
2-(3-fluoro-4-methylphenyl)-2-(3-methylanilino)acetonitrile
CID 63648282
2-(3-bromo-4-fluorophenyl)-2-(3-fluoroanilino)acetonitrile
CID 54886516
5-[(3-chloroanilino)-cyanomethyl]-2-fluorobenzonitrile
CID 107936312
2-(3,4-difluorophenyl)-2-(ethylamino)acetonitrile
CID 43115122
2-(3-bromoanilino)-2-(3-chloro-4-fluorophenyl)acetonitrile
CID 81145148

Frequently Asked Questions

What is the IUPAC name of 2-anilino-2-(3,4-difluorophenyl)acetonitrile?
The IUPAC name of 2-anilino-2-(3,4-difluorophenyl)acetonitrile (CID 54886668) is 2-anilino-2-(3,4-difluorophenyl)acetonitrile.
What is the SMILES notation for 2-anilino-2-(3,4-difluorophenyl)acetonitrile?
The canonical SMILES for 2-anilino-2-(3,4-difluorophenyl)acetonitrile is N#CC(Nc1ccccc1)c1ccc(F)c(F)c1.
What is the InChIKey of 2-anilino-2-(3,4-difluorophenyl)acetonitrile?
The InChIKey is ITARXHSSOMPGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N2/c15-12-7-6-10(8-13(12)16)14(9-17)18-11-4-2-1-3-5-11/h1-8,14,18H.
What are the key properties of 2-anilino-2-(3,4-difluorophenyl)acetonitrile?
2-anilino-2-(3,4-difluorophenyl)acetonitrile has a molecular weight of 244.24 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-2-(3,4-difluorophenyl)acetonitrile is sourced from PubChem (CID 54886668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).