1-[[3-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide

C15H18F3NO — CID 23027904

IUPAC1-[[3-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide
SMILESNC(=O)C1(Cc2cccc(C(F)(F)F)c2)CCCCC1
InChIInChI=1S/C15H18F3NO/c16-15(17,18)12-6-4-5-11(9-12)10-14(13(19)20)7-2-1-3-8-14/h4-6,9H,1-3,7-8,10H2,(H2,19,20)
InChIKeyWVOFZOORTHBMGP-UHFFFAOYSA-N
MW285.31 g/mol
LogP3.68
Rot. Bonds3

About 1-[[3-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide

1-[[3-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide (PubChem CID 23027904) has the molecular formula C15H18F3NO and a molecular weight of 285.31 g/mol. Its IUPAC name is 1-[[3-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-[[3-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide
PubChem CID23027904
Molecular FormulaC15H18F3NO
Molecular Weight285.31 g/mol
Exact Mass285.13
IUPAC Name1-[[3-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide
SMILESNC(=O)C1(Cc2cccc(C(F)(F)F)c2)CCCCC1
InChIInChI=1S/C15H18F3NO/c16-15(17,18)12-6-4-5-11(9-12)10-14(13(19)20)7-2-1-3-8-14/h4-6,9H,1-3,7-8,10H2,(H2,19,20)
InChIKeyWVOFZOORTHBMGP-UHFFFAOYSA-N
XLogP3.68
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[[3-(trifluoromethyl)phenyl]methyl]cycloheptan-1-amine
CID 62621040
1-[1-(aminomethyl)cyclopentyl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 116600888
1-(1-aminocyclohexyl)-3-[3-(trifluoromethyl)phenyl]propan-2-one
CID 116578964
1-[[3-(trifluoromethyl)phenyl]methyl]cycloheptane-1-carbonitrile
CID 65389527
1-amino-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119266145
1-amino-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide
CID 60867747
1-[[1-(chloromethyl)cyclopentyl]methyl]-3-(trifluoromethyl)benzene
CID 66034453
2,2-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
CID 79834786
1-(1-methoxycyclopentyl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 104610106
2-[[3-(trifluoromethyl)phenyl]methyl]thiolane-2-carboxylic acid
CID 83173223
1-[1-(dimethylamino)cyclopentyl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 79057674
1-[1-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]cycloheptan-1-ol
CID 103452163

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-[[3-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide (CID 23027904) is 1-[[3-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-[[3-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-[[3-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide is NC(=O)C1(Cc2cccc(C(F)(F)F)c2)CCCCC1.
What is the InChIKey of 1-[[3-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide?
The InChIKey is WVOFZOORTHBMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO/c16-15(17,18)12-6-4-5-11(9-12)10-14(13(19)20)7-2-1-3-8-14/h4-6,9H,1-3,7-8,10H2,(H2,19,20).
What are the key properties of 1-[[3-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide?
1-[[3-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide has a molecular weight of 285.31 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 23027904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).