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

C14H9F3N2 — CID 54886674

IUPAC2-(3,4-difluorophenyl)-2-(4-fluoroanilino)acetonitrile
SMILESN#CC(Nc1ccc(F)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C14H9F3N2/c15-10-2-4-11(5-3-10)19-14(8-18)9-1-6-12(16)13(17)7-9/h1-7,14,19H
InChIKeyGOPZAHTYYXTCGR-UHFFFAOYSA-N
MW262.23 g/mol
LogP3.78
Rot. Bonds3

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

2-(3,4-difluorophenyl)-2-(4-fluoroanilino)acetonitrile (PubChem CID 54886674) has the molecular formula C14H9F3N2 and a molecular weight of 262.23 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-2-(4-fluoroanilino)acetonitrile.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-2-(4-fluoroanilino)acetonitrile
PubChem CID54886674
Molecular FormulaC14H9F3N2
Molecular Weight262.23 g/mol
Exact Mass262.07
IUPAC Name2-(3,4-difluorophenyl)-2-(4-fluoroanilino)acetonitrile
SMILESN#CC(Nc1ccc(F)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C14H9F3N2/c15-10-2-4-11(5-3-10)19-14(8-18)9-1-6-12(16)13(17)7-9/h1-7,14,19H
InChIKeyGOPZAHTYYXTCGR-UHFFFAOYSA-N
XLogP3.78
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-anilino-2-(3,4-difluorophenyl)acetonitrile
CID 54886668
2-(4-bromoanilino)-2-(4-fluorophenyl)acetonitrile
CID 54886157
2-(4-chloroanilino)-2-(4-fluoro-3-methylphenyl)acetonitrile
CID 62121850
2-(3-bromo-4-methylphenyl)-2-(4-fluoroanilino)acetonitrile
CID 105401756
2-(4-ethylphenyl)-2-(4-fluoroanilino)acetonitrile
CID 54886631
2-(4-fluoroanilino)-2-(4-hydroxy-3-methoxyphenyl)acetonitrile
CID 60986867
2-(2,4-dichlorophenyl)-2-(4-fluoroanilino)acetonitrile
CID 54886457
2-(4-fluoroanilino)-2-quinolin-6-ylacetonitrile
CID 63969132
2-(4-fluoroanilino)-2-thiophen-3-ylacetonitrile
CID 60987777
2-(3,4-difluorophenyl)-2-(ethylamino)acetonitrile
CID 43115122
2-(3-fluoro-4-hydroxyphenyl)-2-(4-methoxyanilino)acetonitrile
CID 107686148
2-(4-chloroanilino)-2-(3,5-dichlorophenyl)acetonitrile
CID 54886328

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-2-(4-fluoroanilino)acetonitrile?
The IUPAC name of 2-(3,4-difluorophenyl)-2-(4-fluoroanilino)acetonitrile (CID 54886674) is 2-(3,4-difluorophenyl)-2-(4-fluoroanilino)acetonitrile.
What is the SMILES notation for 2-(3,4-difluorophenyl)-2-(4-fluoroanilino)acetonitrile?
The canonical SMILES for 2-(3,4-difluorophenyl)-2-(4-fluoroanilino)acetonitrile is N#CC(Nc1ccc(F)cc1)c1ccc(F)c(F)c1.
What is the InChIKey of 2-(3,4-difluorophenyl)-2-(4-fluoroanilino)acetonitrile?
The InChIKey is GOPZAHTYYXTCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2/c15-10-2-4-11(5-3-10)19-14(8-18)9-1-6-12(16)13(17)7-9/h1-7,14,19H.
What are the key properties of 2-(3,4-difluorophenyl)-2-(4-fluoroanilino)acetonitrile?
2-(3,4-difluorophenyl)-2-(4-fluoroanilino)acetonitrile has a molecular weight of 262.23 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-2-(4-fluoroanilino)acetonitrile is sourced from PubChem (CID 54886674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).