2-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexan-1-amine

C13H15F4N — CID 113338650

IUPAC2-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexan-1-amine
SMILESNC1CCCCC1c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C13H15F4N/c14-11-7-8(5-6-10(11)13(15,16)17)9-3-1-2-4-12(9)18/h5-7,9,12H,1-4,18H2
InChIKeyXTNCOCILKFXDPW-UHFFFAOYSA-N
MW261.26 g/mol
LogP3.83
Rot. Bonds1

About 2-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexan-1-amine

2-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexan-1-amine (PubChem CID 113338650) has the molecular formula C13H15F4N and a molecular weight of 261.26 g/mol. Its IUPAC name is 2-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexan-1-amine
PubChem CID113338650
Molecular FormulaC13H15F4N
Molecular Weight261.26 g/mol
Exact Mass261.11
IUPAC Name2-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexan-1-amine
SMILESNC1CCCCC1c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C13H15F4N/c14-11-7-8(5-6-10(11)13(15,16)17)9-3-1-2-4-12(9)18/h5-7,9,12H,1-4,18H2
InChIKeyXTNCOCILKFXDPW-UHFFFAOYSA-N
XLogP3.83
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-fluoro-4-(trifluoromethyl)phenyl]cyclobutan-1-amine
CID 107290684
2-[4-fluoro-3-(trifluoromethyl)phenyl]cycloheptan-1-amine
CID 107290007
2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylcyclohexan-1-amine
CID 107290013
N-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]ethanamine
CID 107290780
2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylcyclopentan-1-amine
CID 107290018
3-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 103852553
2-(3-fluoro-4-methoxyphenyl)cyclopentan-1-amine
CID 62795099
trans-(1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 94603912
(1R)-2-(4-fluorophenyl)cyclopentan-1-amine
CID 70223067
2-(3,5-difluorophenyl)cyclohexan-1-amine
CID 62801272
3-ethyl-4-[3-fluoro-4-(trifluoromethyl)phenyl]piperidine
CID 107290040
(2R)-2-[3-fluoro-4-(trifluoromethyl)phenyl]azetidine;hydrochloride
CID 171197362

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexan-1-amine?
The IUPAC name of 2-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexan-1-amine (CID 113338650) is 2-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexan-1-amine.
What is the SMILES notation for 2-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexan-1-amine?
The canonical SMILES for 2-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexan-1-amine is NC1CCCCC1c1ccc(C(F)(F)F)c(F)c1.
What is the InChIKey of 2-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexan-1-amine?
The InChIKey is XTNCOCILKFXDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F4N/c14-11-7-8(5-6-10(11)13(15,16)17)9-3-1-2-4-12(9)18/h5-7,9,12H,1-4,18H2.
What are the key properties of 2-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexan-1-amine?
2-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexan-1-amine has a molecular weight of 261.26 g/mol, XLogP of 3.83, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexan-1-amine is sourced from PubChem (CID 113338650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).