3-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine

C13H16F3N — CID 64502717

IUPAC3-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine
SMILESNC1CCCC(c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C13H16F3N/c14-13(15,16)11-5-1-3-9(7-11)10-4-2-6-12(17)8-10/h1,3,5,7,10,12H,2,4,6,8,17H2
InChIKeyJXFZWZJBAPWUIP-UHFFFAOYSA-N
MW243.27 g/mol
LogP3.69
Rot. Bonds1

About 3-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine

3-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine (PubChem CID 64502717) has the molecular formula C13H16F3N and a molecular weight of 243.27 g/mol. Its IUPAC name is 3-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine
PubChem CID64502717
Molecular FormulaC13H16F3N
Molecular Weight243.27 g/mol
Exact Mass243.12
IUPAC Name3-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine
SMILESNC1CCCC(c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C13H16F3N/c14-13(15,16)11-5-1-3-9(7-11)10-4-2-6-12(17)8-10/h1,3,5,7,10,12H,2,4,6,8,17H2
InChIKeyJXFZWZJBAPWUIP-UHFFFAOYSA-N
XLogP3.69
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclobutyl-3-(trifluoromethyl)benzene
CID 67441515
1-chloro-3-[3-(trifluoromethyl)phenyl]cycloheptane
CID 64506404
1-cyclopropyl-3-(trifluoromethyl)benzene
CID 12509713
cis-(1R,3S)-N-ethyl-N-methyl-3-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 153367450
N,N-diethyl-3-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 153367568
cis-(1S,3R)-3-(3-chlorophenyl)cyclohexan-1-amine
CID 95376050
3-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 103852553
1-cyclopropyl-3-(trifluoromethyl)benzene;formonitrile
CID 159608211
2-[3-(trifluoromethyl)phenyl]piperidin-4-amine
CID 117000351
2-(3-cyclobutylphenyl)-2,2-difluoroacetic acid
CID 114605676
1-methyl-3-[3-(trifluoromethyl)phenyl]pyrrolidine
CID 18722940
1-methyl-4-[3-(trifluoromethyl)phenyl]piperidine
CID 18722963

Frequently Asked Questions

What is the IUPAC name of 3-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine?
The IUPAC name of 3-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine (CID 64502717) is 3-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine.
What is the SMILES notation for 3-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine?
The canonical SMILES for 3-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine is NC1CCCC(c2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of 3-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine?
The InChIKey is JXFZWZJBAPWUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N/c14-13(15,16)11-5-1-3-9(7-11)10-4-2-6-12(17)8-10/h1,3,5,7,10,12H,2,4,6,8,17H2.
What are the key properties of 3-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine?
3-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine has a molecular weight of 243.27 g/mol, XLogP of 3.69, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine is sourced from PubChem (CID 64502717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).