1-(4-fluorophenyl)-4-(trifluoromethyl)cyclohexan-1-amine

C13H15F4N — CID 64756353

IUPAC1-(4-fluorophenyl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESNC1(c2ccc(F)cc2)CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H15F4N/c14-11-3-1-9(2-4-11)12(18)7-5-10(6-8-12)13(15,16)17/h1-4,10H,5-8,18H2
InChIKeyPWLASYUTGRVSOL-UHFFFAOYSA-N
MW261.26 g/mol
LogP3.73
Rot. Bonds1

About 1-(4-fluorophenyl)-4-(trifluoromethyl)cyclohexan-1-amine

1-(4-fluorophenyl)-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64756353) has the molecular formula C13H15F4N and a molecular weight of 261.26 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64756353
Molecular FormulaC13H15F4N
Molecular Weight261.26 g/mol
Exact Mass261.11
IUPAC Name1-(4-fluorophenyl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESNC1(c2ccc(F)cc2)CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H15F4N/c14-11-3-1-9(2-4-11)12(18)7-5-10(6-8-12)13(15,16)17/h1-4,10H,5-8,18H2
InChIKeyPWLASYUTGRVSOL-UHFFFAOYSA-N
XLogP3.73
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 ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-fluoro-3-pyridinyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64756541
1-(3,4-dimethoxyphenyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64756751
1-(4-fluorophenyl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 64757037
4-tert-butyl-1-(3,5-difluorophenyl)cyclohexan-1-amine
CID 63407310
1-(1-ethylpyrazol-4-yl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64754656
2-(4-fluorophenyl)spiro[3.4]octan-2-amine
CID 65002671
3-(4-fluorophenyl)bicyclo[1.1.1]pentan-1-amine;hydrochloride
CID 155894595
3-fluoro-1-(4-fluorophenyl)-3-methylcyclobutan-1-amine
CID 115020964
ethane;1-[4-(trifluoromethyl)phenyl]cyclopropan-1-amine
CID 145295879
4-fluoro-1-phenylcyclohexan-1-amine
CID 83853906
1-(4-fluorophenyl)-3-[4-(trifluoromethyl)cyclohexyl]urea
CID 24651175
1-(5-fluoro-2-methylphenyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 64757984

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of 1-(4-fluorophenyl)-4-(trifluoromethyl)cyclohexan-1-amine (CID 64756353) is 1-(4-fluorophenyl)-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(4-fluorophenyl)-4-(trifluoromethyl)cyclohexan-1-amine is NC1(c2ccc(F)cc2)CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is PWLASYUTGRVSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F4N/c14-11-3-1-9(2-4-11)12(18)7-5-10(6-8-12)13(15,16)17/h1-4,10H,5-8,18H2.
What are the key properties of 1-(4-fluorophenyl)-4-(trifluoromethyl)cyclohexan-1-amine?
1-(4-fluorophenyl)-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 261.26 g/mol, XLogP of 3.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64756353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).