2-fluoro-6-(3-propan-2-ylanilino)benzonitrile

C16H15FN2 — CID 78910919

IUPAC2-fluoro-6-(3-propan-2-ylanilino)benzonitrile
SMILESCC(C)c1cccc(Nc2cccc(F)c2C#N)c1
InChIInChI=1S/C16H15FN2/c1-11(2)12-5-3-6-13(9-12)19-16-8-4-7-15(17)14(16)10-18/h3-9,11,19H,1-2H3
InChIKeyAKSILWRBECCQBJ-UHFFFAOYSA-N
MW254.31 g/mol
LogP4.56
Rot. Bonds3

About 2-fluoro-6-(3-propan-2-ylanilino)benzonitrile

2-fluoro-6-(3-propan-2-ylanilino)benzonitrile (PubChem CID 78910919) has the molecular formula C16H15FN2 and a molecular weight of 254.31 g/mol. Its IUPAC name is 2-fluoro-6-(3-propan-2-ylanilino)benzonitrile.

Molecular Properties

Compound Name2-fluoro-6-(3-propan-2-ylanilino)benzonitrile
PubChem CID78910919
Molecular FormulaC16H15FN2
Molecular Weight254.31 g/mol
Exact Mass254.12
IUPAC Name2-fluoro-6-(3-propan-2-ylanilino)benzonitrile
SMILESCC(C)c1cccc(Nc2cccc(F)c2C#N)c1
InChIInChI=1S/C16H15FN2/c1-11(2)12-5-3-6-13(9-12)19-16-8-4-7-15(17)14(16)10-18/h3-9,11,19H,1-2H3
InChIKeyAKSILWRBECCQBJ-UHFFFAOYSA-N
XLogP4.56
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-6-(3-hydroxyanilino)benzonitrile
CID 82242626
2-(3-chloro-4-fluoroanilino)-6-fluorobenzonitrile
CID 78911086
2,3-difluoro-4-(3-propan-2-ylanilino)benzonitrile
CID 107933319
2-(3-chloro-4-cyanoanilino)-6-fluorobenzonitrile
CID 62946987
2-(4-aminoanilino)-6-fluorobenzonitrile
CID 43580495
2-fluoro-6-[1-(4-propan-2-ylphenyl)ethylamino]benzonitrile
CID 43402732
N-[3-(2-cyano-3-fluoroanilino)phenyl]-2-hydroxyacetamide
CID 71972950
4,6-dimethyl-2-(3-propan-2-ylanilino)pyridine-3-carbonitrile
CID 63510093
2-fluoro-6-propan-2-ylbenzonitrile
CID 59589078
2-(4-acetylanilino)-6-fluorobenzonitrile
CID 15041456
2-fluoro-6-(2-phenylpropylamino)benzonitrile
CID 43399520
5-methyl-3-(3-propan-2-ylanilino)-1H-pyrazole-4-carbonitrile
CID 162638703

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(3-propan-2-ylanilino)benzonitrile?
The IUPAC name of 2-fluoro-6-(3-propan-2-ylanilino)benzonitrile (CID 78910919) is 2-fluoro-6-(3-propan-2-ylanilino)benzonitrile.
What is the SMILES notation for 2-fluoro-6-(3-propan-2-ylanilino)benzonitrile?
The canonical SMILES for 2-fluoro-6-(3-propan-2-ylanilino)benzonitrile is CC(C)c1cccc(Nc2cccc(F)c2C#N)c1.
What is the InChIKey of 2-fluoro-6-(3-propan-2-ylanilino)benzonitrile?
The InChIKey is AKSILWRBECCQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2/c1-11(2)12-5-3-6-13(9-12)19-16-8-4-7-15(17)14(16)10-18/h3-9,11,19H,1-2H3.
What are the key properties of 2-fluoro-6-(3-propan-2-ylanilino)benzonitrile?
2-fluoro-6-(3-propan-2-ylanilino)benzonitrile has a molecular weight of 254.31 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(3-propan-2-ylanilino)benzonitrile is sourced from PubChem (CID 78910919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).