4-(N-ethyl-3-fluoroanilino)-2-fluorobenzonitrile

C15H12F2N2 — CID 115367385

IUPAC4-(N-ethyl-3-fluoroanilino)-2-fluorobenzonitrile
SMILESCCN(c1cccc(F)c1)c1ccc(C#N)c(F)c1
InChIInChI=1S/C15H12F2N2/c1-2-19(13-5-3-4-12(16)8-13)14-7-6-11(10-18)15(17)9-14/h3-9H,2H2,1H3
InChIKeyJVXBBBGVQWFLFJ-UHFFFAOYSA-N
MW258.27 g/mol
LogP3.99
Rot. Bonds3

About 4-(N-ethyl-3-fluoroanilino)-2-fluorobenzonitrile

4-(N-ethyl-3-fluoroanilino)-2-fluorobenzonitrile (PubChem CID 115367385) has the molecular formula C15H12F2N2 and a molecular weight of 258.27 g/mol. Its IUPAC name is 4-(N-ethyl-3-fluoroanilino)-2-fluorobenzonitrile.

Molecular Properties

Compound Name4-(N-ethyl-3-fluoroanilino)-2-fluorobenzonitrile
PubChem CID115367385
Molecular FormulaC15H12F2N2
Molecular Weight258.27 g/mol
Exact Mass258.10
IUPAC Name4-(N-ethyl-3-fluoroanilino)-2-fluorobenzonitrile
SMILESCCN(c1cccc(F)c1)c1ccc(C#N)c(F)c1
InChIInChI=1S/C15H12F2N2/c1-2-19(13-5-3-4-12(16)8-13)14-7-6-11(10-18)15(17)9-14/h3-9H,2H2,1H3
InChIKeyJVXBBBGVQWFLFJ-UHFFFAOYSA-N
XLogP3.99
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-4-(N-ethyl-3-fluoroanilino)benzonitrile
CID 63510151
4-(dipropylamino)-2-fluorobenzonitrile
CID 115366969
4-(N-ethyl-3-fluoroanilino)-2,6-dimethylpyridine-3-carbonitrile
CID 81060103
(1R)-1-[4-(N-ethyl-3-fluoroanilino)phenyl]ethanol
CID 78940802
2-fluoro-4-(4-fluoro-N-methylanilino)benzonitrile
CID 113295659
2-(N-ethyl-3-methylanilino)-6-fluorobenzonitrile
CID 79512628
1-[4-(N-ethyl-3-fluoroanilino)-2-hydroxyphenyl]ethanone
CID 79600398
N-ethyl-3-fluoro-N-[4-[(propan-2-ylamino)methyl]phenyl]aniline
CID 63551208
2-fluoro-4-[1-hydroxypropan-2-yl(methyl)amino]benzonitrile
CID 104551917
2-(N-ethyl-4-fluoroanilino)-6-fluorobenzonitrile
CID 79513025
4-[bis(2-ethoxyethyl)amino]-2-fluorobenzonitrile
CID 82966288
5-(N-ethyl-4-fluoroanilino)-2-nitrobenzonitrile
CID 115501156

Frequently Asked Questions

What is the IUPAC name of 4-(N-ethyl-3-fluoroanilino)-2-fluorobenzonitrile?
The IUPAC name of 4-(N-ethyl-3-fluoroanilino)-2-fluorobenzonitrile (CID 115367385) is 4-(N-ethyl-3-fluoroanilino)-2-fluorobenzonitrile.
What is the SMILES notation for 4-(N-ethyl-3-fluoroanilino)-2-fluorobenzonitrile?
The canonical SMILES for 4-(N-ethyl-3-fluoroanilino)-2-fluorobenzonitrile is CCN(c1cccc(F)c1)c1ccc(C#N)c(F)c1.
What is the InChIKey of 4-(N-ethyl-3-fluoroanilino)-2-fluorobenzonitrile?
The InChIKey is JVXBBBGVQWFLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2/c1-2-19(13-5-3-4-12(16)8-13)14-7-6-11(10-18)15(17)9-14/h3-9H,2H2,1H3.
What are the key properties of 4-(N-ethyl-3-fluoroanilino)-2-fluorobenzonitrile?
4-(N-ethyl-3-fluoroanilino)-2-fluorobenzonitrile has a molecular weight of 258.27 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-ethyl-3-fluoroanilino)-2-fluorobenzonitrile is sourced from PubChem (CID 115367385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).