2-(N-ethyl-4-fluoroanilino)-6-fluorobenzonitrile

C15H12F2N2 — CID 79513025

IUPAC2-(N-ethyl-4-fluoroanilino)-6-fluorobenzonitrile
SMILESCCN(c1ccc(F)cc1)c1cccc(F)c1C#N
InChIInChI=1S/C15H12F2N2/c1-2-19(12-8-6-11(16)7-9-12)15-5-3-4-14(17)13(15)10-18/h3-9H,2H2,1H3
InChIKeyLBMHYIJASYZKFG-UHFFFAOYSA-N
MW258.27 g/mol
LogP3.99
Rot. Bonds3

About 2-(N-ethyl-4-fluoroanilino)-6-fluorobenzonitrile

2-(N-ethyl-4-fluoroanilino)-6-fluorobenzonitrile (PubChem CID 79513025) has the molecular formula C15H12F2N2 and a molecular weight of 258.27 g/mol. Its IUPAC name is 2-(N-ethyl-4-fluoroanilino)-6-fluorobenzonitrile.

Molecular Properties

Compound Name2-(N-ethyl-4-fluoroanilino)-6-fluorobenzonitrile
PubChem CID79513025
Molecular FormulaC15H12F2N2
Molecular Weight258.27 g/mol
Exact Mass258.10
IUPAC Name2-(N-ethyl-4-fluoroanilino)-6-fluorobenzonitrile
SMILESCCN(c1ccc(F)cc1)c1cccc(F)c1C#N
InChIInChI=1S/C15H12F2N2/c1-2-19(12-8-6-11(16)7-9-12)15-5-3-4-14(17)13(15)10-18/h3-9H,2H2,1H3
InChIKeyLBMHYIJASYZKFG-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

2-(N-ethyl-3-methylanilino)-6-fluorobenzonitrile
CID 79512628
2-fluoro-6-(4-fluoro-N-methylanilino)benzonitrile
CID 79513223
2-(aminomethyl)-N-ethyl-3-fluoro-N-(4-fluorophenyl)aniline
CID 79515822
2-fluoro-6-[(4-fluorophenyl)methyl-methylamino]benzonitrile
CID 78911019
2-[butan-2-yl(ethyl)amino]-6-fluorobenzonitrile
CID 79512921
2-fluoro-6-[methyl(4-methylpentan-2-yl)amino]benzonitrile
CID 78958831
3-chloro-1-N-ethyl-1-N-(4-fluorophenyl)benzene-1,2-diamine
CID 104834417
2-[cyclopentyl(ethyl)amino]-6-fluorobenzonitrile
CID 78958816
2-bromo-4-(N-ethyl-4-fluoroanilino)-3-fluorobenzonitrile
CID 107533563
2-[1-(dimethylamino)propan-2-yl-ethylamino]-6-fluorobenzonitrile
CID 103188867
2-bromo-6-(N-ethyl-4-fluoroanilino)benzoic acid
CID 114888107
2-fluoro-6-[1-hydroxypropan-2-yl(methyl)amino]benzonitrile
CID 115765243

Frequently Asked Questions

What is the IUPAC name of 2-(N-ethyl-4-fluoroanilino)-6-fluorobenzonitrile?
The IUPAC name of 2-(N-ethyl-4-fluoroanilino)-6-fluorobenzonitrile (CID 79513025) is 2-(N-ethyl-4-fluoroanilino)-6-fluorobenzonitrile.
What is the SMILES notation for 2-(N-ethyl-4-fluoroanilino)-6-fluorobenzonitrile?
The canonical SMILES for 2-(N-ethyl-4-fluoroanilino)-6-fluorobenzonitrile is CCN(c1ccc(F)cc1)c1cccc(F)c1C#N.
What is the InChIKey of 2-(N-ethyl-4-fluoroanilino)-6-fluorobenzonitrile?
The InChIKey is LBMHYIJASYZKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2/c1-2-19(12-8-6-11(16)7-9-12)15-5-3-4-14(17)13(15)10-18/h3-9H,2H2,1H3.
What are the key properties of 2-(N-ethyl-4-fluoroanilino)-6-fluorobenzonitrile?
2-(N-ethyl-4-fluoroanilino)-6-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 2-(N-ethyl-4-fluoroanilino)-6-fluorobenzonitrile is sourced from PubChem (CID 79513025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).