4-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]cyclohexan-1-ol

C14H17F4NO — CID 103845476

IUPAC4-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]cyclohexan-1-ol
SMILESOC1CCC(NCc2cc(F)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C14H17F4NO/c15-11-6-9(5-10(7-11)14(16,17)18)8-19-12-1-3-13(20)4-2-12/h5-7,12-13,19-20H,1-4,8H2
InChIKeyDDOUARJDTZMQMA-UHFFFAOYSA-N
MW291.29 g/mol
LogP3.24
Rot. Bonds3

About 4-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]cyclohexan-1-ol

4-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]cyclohexan-1-ol (PubChem CID 103845476) has the molecular formula C14H17F4NO and a molecular weight of 291.29 g/mol. Its IUPAC name is 4-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]cyclohexan-1-ol
PubChem CID103845476
Molecular FormulaC14H17F4NO
Molecular Weight291.29 g/mol
Exact Mass291.12
IUPAC Name4-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]cyclohexan-1-ol
SMILESOC1CCC(NCc2cc(F)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C14H17F4NO/c15-11-6-9(5-10(7-11)14(16,17)18)8-19-12-1-3-13(20)4-2-12/h5-7,12-13,19-20H,1-4,8H2
InChIKeyDDOUARJDTZMQMA-UHFFFAOYSA-N
XLogP3.24
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.29
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[3-fluoro-5-(trifluoromethyl)phenyl]butyl]cyclopropanamine
CID 115350662
5-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]piperidin-2-one
CID 115282854
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 115282910
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-methylcycloheptan-1-amine
CID 115350673
2-[[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]methyl]cyclohexan-1-ol
CID 115282883
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 115350227
N-[[3-(trifluoromethyl)phenyl]methyl]cyclopropanamine;hydrochloride
CID 166520360
4-[[3-bromo-5-(trifluoromethyl)phenyl]methylamino]cyclohexane-1-carboxylic acid
CID 120509886
N-[(3,5-difluorophenyl)methyl]piperidin-4-amine
CID 68801078
4-[(4-cyclopropylphenyl)methylamino]cyclohexan-1-ol
CID 79979753
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]acetamide
CID 20717933
N-[(1-cyclopropylcyclopropyl)methyl]-1-[3-fluoro-5-(trifluoromethyl)phenyl]methanamine
CID 103838628

Frequently Asked Questions

What is the IUPAC name of 4-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]cyclohexan-1-ol?
The IUPAC name of 4-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]cyclohexan-1-ol (CID 103845476) is 4-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]cyclohexan-1-ol?
The canonical SMILES for 4-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]cyclohexan-1-ol is OC1CCC(NCc2cc(F)cc(C(F)(F)F)c2)CC1.
What is the InChIKey of 4-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]cyclohexan-1-ol?
The InChIKey is DDOUARJDTZMQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F4NO/c15-11-6-9(5-10(7-11)14(16,17)18)8-19-12-1-3-13(20)4-2-12/h5-7,12-13,19-20H,1-4,8H2.
What are the key properties of 4-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]cyclohexan-1-ol?
4-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]cyclohexan-1-ol has a molecular weight of 291.29 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]cyclohexan-1-ol is sourced from PubChem (CID 103845476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).