2-(3-fluoroanilino)-2-(3-fluoro-4-hydroxyphenyl)acetonitrile

C14H10F2N2O — CID 107686150

IUPAC2-(3-fluoroanilino)-2-(3-fluoro-4-hydroxyphenyl)acetonitrile
SMILESN#CC(Nc1cccc(F)c1)c1ccc(O)c(F)c1
InChIInChI=1S/C14H10F2N2O/c15-10-2-1-3-11(7-10)18-13(8-17)9-4-5-14(19)12(16)6-9/h1-7,13,18-19H
InChIKeyJVJGMAHDMOPPCO-UHFFFAOYSA-N
MW260.24 g/mol
LogP3.35
Rot. Bonds3

About 2-(3-fluoroanilino)-2-(3-fluoro-4-hydroxyphenyl)acetonitrile

2-(3-fluoroanilino)-2-(3-fluoro-4-hydroxyphenyl)acetonitrile (PubChem CID 107686150) has the molecular formula C14H10F2N2O and a molecular weight of 260.24 g/mol. Its IUPAC name is 2-(3-fluoroanilino)-2-(3-fluoro-4-hydroxyphenyl)acetonitrile.

Molecular Properties

Compound Name2-(3-fluoroanilino)-2-(3-fluoro-4-hydroxyphenyl)acetonitrile
PubChem CID107686150
Molecular FormulaC14H10F2N2O
Molecular Weight260.24 g/mol
Exact Mass260.08
IUPAC Name2-(3-fluoroanilino)-2-(3-fluoro-4-hydroxyphenyl)acetonitrile
SMILESN#CC(Nc1cccc(F)c1)c1ccc(O)c(F)c1
InChIInChI=1S/C14H10F2N2O/c15-10-2-1-3-11(7-10)18-13(8-17)9-4-5-14(19)12(16)6-9/h1-7,13,18-19H
InChIKeyJVJGMAHDMOPPCO-UHFFFAOYSA-N
XLogP3.35
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromoanilino)-2-(3-fluoro-4-hydroxyphenyl)acetonitrile
CID 107686152
2-(3-bromo-4-fluorophenyl)-2-(3-fluoroanilino)acetonitrile
CID 54886516
2-(3-fluoro-4-hydroxyphenyl)-2-(4-methoxyanilino)acetonitrile
CID 107686148
2-(3-fluoroanilino)-2-[3-(trifluoromethyl)phenyl]acetonitrile
CID 60990310
(2R)-2-(3-fluoroanilino)-2-(2,4,6-trifluorophenyl)acetonitrile
CID 129394744
2-(3-chloroanilino)-2-(3,4-dihydroxyphenyl)acetonitrile
CID 54887295
2-anilino-2-(3,4-difluorophenyl)acetonitrile
CID 54886668
2-(3-fluoroanilino)-2-(4-propan-2-yloxyphenyl)acetonitrile
CID 60990349
2-(3-fluoro-4-methylphenyl)-2-(3-methylanilino)acetonitrile
CID 63648282
2-(3,5-dimethoxyphenyl)-2-(3-fluoroanilino)acetonitrile
CID 60990264
2-(3-fluoro-4-hydroxyphenyl)-2-(2-methoxyanilino)acetonitrile
CID 107686157
2-(3,4-difluorophenyl)-2-(4-fluoroanilino)acetonitrile
CID 54886674

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoroanilino)-2-(3-fluoro-4-hydroxyphenyl)acetonitrile?
The IUPAC name of 2-(3-fluoroanilino)-2-(3-fluoro-4-hydroxyphenyl)acetonitrile (CID 107686150) is 2-(3-fluoroanilino)-2-(3-fluoro-4-hydroxyphenyl)acetonitrile.
What is the SMILES notation for 2-(3-fluoroanilino)-2-(3-fluoro-4-hydroxyphenyl)acetonitrile?
The canonical SMILES for 2-(3-fluoroanilino)-2-(3-fluoro-4-hydroxyphenyl)acetonitrile is N#CC(Nc1cccc(F)c1)c1ccc(O)c(F)c1.
What is the InChIKey of 2-(3-fluoroanilino)-2-(3-fluoro-4-hydroxyphenyl)acetonitrile?
The InChIKey is JVJGMAHDMOPPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N2O/c15-10-2-1-3-11(7-10)18-13(8-17)9-4-5-14(19)12(16)6-9/h1-7,13,18-19H.
What are the key properties of 2-(3-fluoroanilino)-2-(3-fluoro-4-hydroxyphenyl)acetonitrile?
2-(3-fluoroanilino)-2-(3-fluoro-4-hydroxyphenyl)acetonitrile has a molecular weight of 260.24 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoroanilino)-2-(3-fluoro-4-hydroxyphenyl)acetonitrile is sourced from PubChem (CID 107686150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).