[4-[[2-(trifluoromethyl)anilino]methyl]cyclohexyl]methanol

C15H20F3NO — CID 172559648

IUPAC[4-[[2-(trifluoromethyl)anilino]methyl]cyclohexyl]methanol
SMILESOCC1CCC(CNc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C15H20F3NO/c16-15(17,18)13-3-1-2-4-14(13)19-9-11-5-7-12(10-20)8-6-11/h1-4,11-12,19-20H,5-10H2
InChIKeyXXXAAFFPVCHAIZ-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.92
Rot. Bonds4

About [4-[[2-(trifluoromethyl)anilino]methyl]cyclohexyl]methanol

[4-[[2-(trifluoromethyl)anilino]methyl]cyclohexyl]methanol (PubChem CID 172559648) has the molecular formula C15H20F3NO and a molecular weight of 287.32 g/mol. Its IUPAC name is [4-[[2-(trifluoromethyl)anilino]methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[4-[[2-(trifluoromethyl)anilino]methyl]cyclohexyl]methanol
PubChem CID172559648
Molecular FormulaC15H20F3NO
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC Name[4-[[2-(trifluoromethyl)anilino]methyl]cyclohexyl]methanol
SMILESOCC1CCC(CNc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C15H20F3NO/c16-15(17,18)13-3-1-2-4-14(13)19-9-11-5-7-12(10-20)8-6-11/h1-4,11-12,19-20H,5-10H2
InChIKeyXXXAAFFPVCHAIZ-UHFFFAOYSA-N
XLogP3.92
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [4-[[2-(trifluoromethyl)anilino]methyl]cyclohexyl]methanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[[2-(trifluoromethyl)anilino]methyl]cyclohexyl]methanol?
The IUPAC name of [4-[[2-(trifluoromethyl)anilino]methyl]cyclohexyl]methanol (CID 172559648) is [4-[[2-(trifluoromethyl)anilino]methyl]cyclohexyl]methanol.
What is the SMILES notation for [4-[[2-(trifluoromethyl)anilino]methyl]cyclohexyl]methanol?
The canonical SMILES for [4-[[2-(trifluoromethyl)anilino]methyl]cyclohexyl]methanol is OCC1CCC(CNc2ccccc2C(F)(F)F)CC1.
What is the InChIKey of [4-[[2-(trifluoromethyl)anilino]methyl]cyclohexyl]methanol?
The InChIKey is XXXAAFFPVCHAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO/c16-15(17,18)13-3-1-2-4-14(13)19-9-11-5-7-12(10-20)8-6-11/h1-4,11-12,19-20H,5-10H2.
What are the key properties of [4-[[2-(trifluoromethyl)anilino]methyl]cyclohexyl]methanol?
[4-[[2-(trifluoromethyl)anilino]methyl]cyclohexyl]methanol has a molecular weight of 287.32 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-(trifluoromethyl)anilino]methyl]cyclohexyl]methanol is sourced from PubChem (CID 172559648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).