5-fluoro-2-[[2-(trifluoromethyl)cyclohexyl]amino]benzonitrile

C14H14F4N2 — CID 82015367

IUPAC5-fluoro-2-[[2-(trifluoromethyl)cyclohexyl]amino]benzonitrile
SMILESN#Cc1cc(F)ccc1NC1CCCCC1C(F)(F)F
InChIInChI=1S/C14H14F4N2/c15-10-5-6-12(9(7-10)8-19)20-13-4-2-1-3-11(13)14(16,17)18/h5-7,11,13,20H,1-4H2
InChIKeyWEADYQDPKBCWAB-UHFFFAOYSA-N
MW286.27 g/mol
LogP4.23
Rot. Bonds2

About 5-fluoro-2-[[2-(trifluoromethyl)cyclohexyl]amino]benzonitrile

5-fluoro-2-[[2-(trifluoromethyl)cyclohexyl]amino]benzonitrile (PubChem CID 82015367) has the molecular formula C14H14F4N2 and a molecular weight of 286.27 g/mol. Its IUPAC name is 5-fluoro-2-[[2-(trifluoromethyl)cyclohexyl]amino]benzonitrile.

Molecular Properties

Compound Name5-fluoro-2-[[2-(trifluoromethyl)cyclohexyl]amino]benzonitrile
PubChem CID82015367
Molecular FormulaC14H14F4N2
Molecular Weight286.27 g/mol
Exact Mass286.11
IUPAC Name5-fluoro-2-[[2-(trifluoromethyl)cyclohexyl]amino]benzonitrile
SMILESN#Cc1cc(F)ccc1NC1CCCCC1C(F)(F)F
InChIInChI=1S/C14H14F4N2/c15-10-5-6-12(9(7-10)8-19)20-13-4-2-1-3-11(13)14(16,17)18/h5-7,11,13,20H,1-4H2
InChIKeyWEADYQDPKBCWAB-UHFFFAOYSA-N
XLogP4.23
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.27
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-2-[(2-methylsulfanylcyclohexyl)amino]benzonitrile
CID 103703350
4-fluoro-2-methyl-N-[2-(trifluoromethyl)cyclohexyl]aniline
CID 64757052
5-fluoro-2-[(2-methyloxolan-3-yl)amino]benzonitrile
CID 82717620
2-[(2,4-dimethylcyclohexyl)amino]-5-fluorobenzonitrile
CID 63996705
5-fluoro-2-[[(1R,2R)-2-(hydroxymethyl)cyclopropyl]amino]benzonitrile
CID 126791638
2-(8-azabicyclo[3.2.1]octan-3-ylamino)-5-fluorobenzonitrile
CID 63672782
2-[(2-methylcyclohexyl)amino]-5-(trifluoromethyl)benzonitrile
CID 43331072
2-methyl-6-[[2-(trifluoromethyl)cyclohexyl]amino]benzonitrile
CID 107803664
5-fluoro-2-[(1-methylazepan-4-yl)amino]benzonitrile
CID 82015465
N-(2-tert-butylcyclohexyl)-4-fluoro-2-iodoaniline
CID 79769068
2-methyl-4-nitro-N-[2-(trifluoromethyl)cyclohexyl]aniline
CID 64757267
2-[(2,3-dimethylcyclohexyl)amino]-5-(trifluoromethyl)benzonitrile
CID 43153542

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[[2-(trifluoromethyl)cyclohexyl]amino]benzonitrile?
The IUPAC name of 5-fluoro-2-[[2-(trifluoromethyl)cyclohexyl]amino]benzonitrile (CID 82015367) is 5-fluoro-2-[[2-(trifluoromethyl)cyclohexyl]amino]benzonitrile.
What is the SMILES notation for 5-fluoro-2-[[2-(trifluoromethyl)cyclohexyl]amino]benzonitrile?
The canonical SMILES for 5-fluoro-2-[[2-(trifluoromethyl)cyclohexyl]amino]benzonitrile is N#Cc1cc(F)ccc1NC1CCCCC1C(F)(F)F.
What is the InChIKey of 5-fluoro-2-[[2-(trifluoromethyl)cyclohexyl]amino]benzonitrile?
The InChIKey is WEADYQDPKBCWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F4N2/c15-10-5-6-12(9(7-10)8-19)20-13-4-2-1-3-11(13)14(16,17)18/h5-7,11,13,20H,1-4H2.
What are the key properties of 5-fluoro-2-[[2-(trifluoromethyl)cyclohexyl]amino]benzonitrile?
5-fluoro-2-[[2-(trifluoromethyl)cyclohexyl]amino]benzonitrile has a molecular weight of 286.27 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[[2-(trifluoromethyl)cyclohexyl]amino]benzonitrile is sourced from PubChem (CID 82015367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).