[2-phenyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol

C15H20F3NO — CID 105403081

IUPAC[2-phenyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol
SMILESOCC1(NCC(F)(F)F)CCCCC1c1ccccc1
InChIInChI=1S/C15H20F3NO/c16-15(17,18)10-19-14(11-20)9-5-4-8-13(14)12-6-2-1-3-7-12/h1-3,6-7,13,19-20H,4-5,8-11H2
InChIKeySWPYXIRFSKEUDM-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.23
Rot. Bonds4

About [2-phenyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol

[2-phenyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol (PubChem CID 105403081) has the molecular formula C15H20F3NO and a molecular weight of 287.32 g/mol. Its IUPAC name is [2-phenyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol.

Molecular Properties

Compound Name[2-phenyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol
PubChem CID105403081
Molecular FormulaC15H20F3NO
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC Name[2-phenyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol
SMILESOCC1(NCC(F)(F)F)CCCCC1c1ccccc1
InChIInChI=1S/C15H20F3NO/c16-15(17,18)10-19-14(11-20)9-5-4-8-13(14)12-6-2-1-3-7-12/h1-3,6-7,13,19-20H,4-5,8-11H2
InChIKeySWPYXIRFSKEUDM-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [2-phenyl-1-(2,2,2-trifluoroethylamino)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 [2-phenyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol?
The IUPAC name of [2-phenyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol (CID 105403081) is [2-phenyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol.
What is the SMILES notation for [2-phenyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol?
The canonical SMILES for [2-phenyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol is OCC1(NCC(F)(F)F)CCCCC1c1ccccc1.
What is the InChIKey of [2-phenyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol?
The InChIKey is SWPYXIRFSKEUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO/c16-15(17,18)10-19-14(11-20)9-5-4-8-13(14)12-6-2-1-3-7-12/h1-3,6-7,13,19-20H,4-5,8-11H2.
What are the key properties of [2-phenyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol?
[2-phenyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol has a molecular weight of 287.32 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-phenyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol is sourced from PubChem (CID 105403081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).