3-[[3-(trifluoromethyl)cyclohexyl]amino]benzonitrile

C14H15F3N2 — CID 64757163

IUPAC3-[[3-(trifluoromethyl)cyclohexyl]amino]benzonitrile
SMILESN#Cc1cccc(NC2CCCC(C(F)(F)F)C2)c1
InChIInChI=1S/C14H15F3N2/c15-14(16,17)11-4-2-6-13(8-11)19-12-5-1-3-10(7-12)9-18/h1,3,5,7,11,13,19H,2,4,6,8H2
InChIKeyYKONNZXBDSMMNH-UHFFFAOYSA-N
MW268.28 g/mol
LogP4.09
Rot. Bonds2

About 3-[[3-(trifluoromethyl)cyclohexyl]amino]benzonitrile

3-[[3-(trifluoromethyl)cyclohexyl]amino]benzonitrile (PubChem CID 64757163) has the molecular formula C14H15F3N2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 3-[[3-(trifluoromethyl)cyclohexyl]amino]benzonitrile.

Molecular Properties

Compound Name3-[[3-(trifluoromethyl)cyclohexyl]amino]benzonitrile
PubChem CID64757163
Molecular FormulaC14H15F3N2
Molecular Weight268.28 g/mol
Exact Mass268.12
IUPAC Name3-[[3-(trifluoromethyl)cyclohexyl]amino]benzonitrile
SMILESN#Cc1cccc(NC2CCCC(C(F)(F)F)C2)c1
InChIInChI=1S/C14H15F3N2/c15-14(16,17)11-4-2-6-13(8-11)19-12-5-1-3-10(7-12)9-18/h1,3,5,7,11,13,19H,2,4,6,8H2
InChIKeyYKONNZXBDSMMNH-UHFFFAOYSA-N
XLogP4.09
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-propan-2-ylcyclohexyl)amino]benzonitrile
CID 107447814
3-(cyclododecylamino)benzonitrile
CID 63422717
3-methoxy-N-[3-(trifluoromethyl)cyclohexyl]aniline
CID 64758791
3-[[(R)-methylsulfinyl]methyl]-N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]aniline
CID 129381498
4-[[3-(trifluoromethyl)cyclohexyl]amino]phenol
CID 64758814
N-(2-hydroxyethyl)-3-[[(1S,3S)-3-(trifluoromethyl)cyclohexyl]amino]benzamide
CID 99625911
3-[(2,6-dimethylcyclohexyl)amino]benzonitrile
CID 43098261
3-[[(3R)-pyrrolidin-3-yl]amino]benzonitrile
CID 124512100
3-[(3-methoxycyclobutyl)amino]benzonitrile
CID 104869053
N-[3-(trifluoromethyl)cyclohexyl]pyrimidin-5-amine
CID 107588030
2-fluoro-5-[[3-(trifluoromethyl)cyclohexyl]amino]benzamide
CID 64759606
N-[3-(trifluoromethyl)cyclohexyl]-1H-indazol-5-amine
CID 64759996

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(trifluoromethyl)cyclohexyl]amino]benzonitrile?
The IUPAC name of 3-[[3-(trifluoromethyl)cyclohexyl]amino]benzonitrile (CID 64757163) is 3-[[3-(trifluoromethyl)cyclohexyl]amino]benzonitrile.
What is the SMILES notation for 3-[[3-(trifluoromethyl)cyclohexyl]amino]benzonitrile?
The canonical SMILES for 3-[[3-(trifluoromethyl)cyclohexyl]amino]benzonitrile is N#Cc1cccc(NC2CCCC(C(F)(F)F)C2)c1.
What is the InChIKey of 3-[[3-(trifluoromethyl)cyclohexyl]amino]benzonitrile?
The InChIKey is YKONNZXBDSMMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2/c15-14(16,17)11-4-2-6-13(8-11)19-12-5-1-3-10(7-12)9-18/h1,3,5,7,11,13,19H,2,4,6,8H2.
What are the key properties of 3-[[3-(trifluoromethyl)cyclohexyl]amino]benzonitrile?
3-[[3-(trifluoromethyl)cyclohexyl]amino]benzonitrile has a molecular weight of 268.28 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(trifluoromethyl)cyclohexyl]amino]benzonitrile is sourced from PubChem (CID 64757163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).