4-[4-(trifluoromethyl)phenoxy]cyclohexan-1-amine

C13H16F3NO — CID 18460866

IUPAC4-[4-(trifluoromethyl)phenoxy]cyclohexan-1-amine
SMILESNC1CCC(Oc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C13H16F3NO/c14-13(15,16)9-1-5-11(6-2-9)18-12-7-3-10(17)4-8-12/h1-2,5-6,10,12H,3-4,7-8,17H2
InChIKeyVZSIBDWLXLIYFV-UHFFFAOYSA-N
MW259.27 g/mol
LogP3.35
Rot. Bonds2

About 4-[4-(trifluoromethyl)phenoxy]cyclohexan-1-amine

4-[4-(trifluoromethyl)phenoxy]cyclohexan-1-amine (PubChem CID 18460866) has the molecular formula C13H16F3NO and a molecular weight of 259.27 g/mol. Its IUPAC name is 4-[4-(trifluoromethyl)phenoxy]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[4-(trifluoromethyl)phenoxy]cyclohexan-1-amine
PubChem CID18460866
Molecular FormulaC13H16F3NO
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC Name4-[4-(trifluoromethyl)phenoxy]cyclohexan-1-amine
SMILESNC1CCC(Oc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C13H16F3NO/c14-13(15,16)9-1-5-11(6-2-9)18-12-7-3-10(17)4-8-12/h1-2,5-6,10,12H,3-4,7-8,17H2
InChIKeyVZSIBDWLXLIYFV-UHFFFAOYSA-N
XLogP3.35
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(trifluoromethyl)phenoxy]cyclopentan-1-amine
CID 83488188
4-(4-bromophenoxy)cyclohexan-1-amine
CID 16756742
4-(4-methoxyphenoxy)cyclohexan-1-amine
CID 16756065
4-[4-(trifluoromethyl)phenoxy]azepane
CID 63904061
1-cyclopropyloxy-4-[2-(4-cyclopropyloxyphenyl)propan-2-yl]benzene
CID 175031556
2-(4-aminocyclohexyl)oxy-5-(trifluoromethyl)benzamide
CID 62808321
2-[4-(trifluoromethyl)phenoxy]cyclopentan-1-ol
CID 60880462
2-(4-cyclopropyloxyphenyl)-2,2-difluoroacetic acid
CID 114520026
2-amino-5-[4-(trifluoromethyl)phenoxy]cyclopentan-1-ol
CID 19850274
4-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
CID 83261999
4-(4-methylsulfonylphenoxy)cyclohexan-1-amine
CID 55115555
6-(4-cyclopropyloxyphenyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102716909

Frequently Asked Questions

What is the IUPAC name of 4-[4-(trifluoromethyl)phenoxy]cyclohexan-1-amine?
The IUPAC name of 4-[4-(trifluoromethyl)phenoxy]cyclohexan-1-amine (CID 18460866) is 4-[4-(trifluoromethyl)phenoxy]cyclohexan-1-amine.
What is the SMILES notation for 4-[4-(trifluoromethyl)phenoxy]cyclohexan-1-amine?
The canonical SMILES for 4-[4-(trifluoromethyl)phenoxy]cyclohexan-1-amine is NC1CCC(Oc2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 4-[4-(trifluoromethyl)phenoxy]cyclohexan-1-amine?
The InChIKey is VZSIBDWLXLIYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO/c14-13(15,16)9-1-5-11(6-2-9)18-12-7-3-10(17)4-8-12/h1-2,5-6,10,12H,3-4,7-8,17H2.
What are the key properties of 4-[4-(trifluoromethyl)phenoxy]cyclohexan-1-amine?
4-[4-(trifluoromethyl)phenoxy]cyclohexan-1-amine has a molecular weight of 259.27 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(trifluoromethyl)phenoxy]cyclohexan-1-amine is sourced from PubChem (CID 18460866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).