4-(2,6-dimethylanilino)-3,5-difluorobenzonitrile

C15H12F2N2 — CID 81283252

IUPAC4-(2,6-dimethylanilino)-3,5-difluorobenzonitrile
SMILESCc1cccc(C)c1Nc1c(F)cc(C#N)cc1F
InChIInChI=1S/C15H12F2N2/c1-9-4-3-5-10(2)14(9)19-15-12(16)6-11(8-18)7-13(15)17/h3-7,19H,1-2H3
InChIKeyBNLXSYDESIETCI-UHFFFAOYSA-N
MW258.27 g/mol
LogP4.20
Rot. Bonds2

About 4-(2,6-dimethylanilino)-3,5-difluorobenzonitrile

4-(2,6-dimethylanilino)-3,5-difluorobenzonitrile (PubChem CID 81283252) has the molecular formula C15H12F2N2 and a molecular weight of 258.27 g/mol. Its IUPAC name is 4-(2,6-dimethylanilino)-3,5-difluorobenzonitrile.

Molecular Properties

Compound Name4-(2,6-dimethylanilino)-3,5-difluorobenzonitrile
PubChem CID81283252
Molecular FormulaC15H12F2N2
Molecular Weight258.27 g/mol
Exact Mass258.10
IUPAC Name4-(2,6-dimethylanilino)-3,5-difluorobenzonitrile
SMILESCc1cccc(C)c1Nc1c(F)cc(C#N)cc1F
InChIInChI=1S/C15H12F2N2/c1-9-4-3-5-10(2)14(9)19-15-12(16)6-11(8-18)7-13(15)17/h3-7,19H,1-2H3
InChIKeyBNLXSYDESIETCI-UHFFFAOYSA-N
XLogP4.20
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-difluoro-4-(2-methylanilino)benzonitrile
CID 81283901
4-(4-bromo-3,5-dimethylanilino)-3,5-difluorobenzonitrile
CID 107574588
4-(4-bromo-2-methylanilino)-3,5-difluorobenzonitrile
CID 81283533
N-[3-(4-cyano-2,6-difluoroanilino)phenyl]acetamide
CID 81287246
3-[(2,6-dimethylanilino)methyl]-4-fluorobenzonitrile
CID 62331907
3,5-difluoro-4-(2,3,4-trifluoroanilino)benzonitrile
CID 81283820
2-[(4-cyano-2-fluorophenyl)methylamino]-3-methylbenzonitrile
CID 107106233
4-N-(2,6-difluorophenyl)-6-N-(2,6-dimethylphenyl)-2-methylpyrimidine-4,6-diamine
CID 112877504
3,5-difluoro-4-[(1-methylpyrazol-3-yl)amino]benzonitrile
CID 81293628
4-[(2,6-dimethylphenyl)methylamino]-3-fluorobenzonitrile
CID 81333601
4-[(2,6-dimethylphenyl)methoxy]-3-fluorobenzonitrile
CID 103792189
4-(2-bromo-4-fluoroanilino)-3,5-difluorobenzonitrile
CID 81283463

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylanilino)-3,5-difluorobenzonitrile?
The IUPAC name of 4-(2,6-dimethylanilino)-3,5-difluorobenzonitrile (CID 81283252) is 4-(2,6-dimethylanilino)-3,5-difluorobenzonitrile.
What is the SMILES notation for 4-(2,6-dimethylanilino)-3,5-difluorobenzonitrile?
The canonical SMILES for 4-(2,6-dimethylanilino)-3,5-difluorobenzonitrile is Cc1cccc(C)c1Nc1c(F)cc(C#N)cc1F.
What is the InChIKey of 4-(2,6-dimethylanilino)-3,5-difluorobenzonitrile?
The InChIKey is BNLXSYDESIETCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2/c1-9-4-3-5-10(2)14(9)19-15-12(16)6-11(8-18)7-13(15)17/h3-7,19H,1-2H3.
What are the key properties of 4-(2,6-dimethylanilino)-3,5-difluorobenzonitrile?
4-(2,6-dimethylanilino)-3,5-difluorobenzonitrile has a molecular weight of 258.27 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylanilino)-3,5-difluorobenzonitrile is sourced from PubChem (CID 81283252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).