2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-ol

C15H26F3NO — CID 62609735

IUPAC2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-ol
SMILESCCCC1CCC(O)C(CN(CC(F)(F)F)C2CC2)C1
InChIInChI=1S/C15H26F3NO/c1-2-3-11-4-7-14(20)12(8-11)9-19(13-5-6-13)10-15(16,17)18/h11-14,20H,2-10H2,1H3
InChIKeyGJDWEFLCRJOUER-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.59
Rot. Bonds6

About 2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-ol

2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-ol (PubChem CID 62609735) has the molecular formula C15H26F3NO and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-ol
PubChem CID62609735
Molecular FormulaC15H26F3NO
Molecular Weight293.37 g/mol
Exact Mass293.20
IUPAC Name2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-ol
SMILESCCCC1CCC(O)C(CN(CC(F)(F)F)C2CC2)C1
InChIInChI=1S/C15H26F3NO/c1-2-3-11-4-7-14(20)12(8-11)9-19(13-5-6-13)10-15(16,17)18/h11-14,20H,2-10H2,1H3
InChIKeyGJDWEFLCRJOUER-UHFFFAOYSA-N
XLogP3.59
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-ol 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-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-ol?
The IUPAC name of 2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-ol (CID 62609735) is 2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-ol.
What is the SMILES notation for 2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-ol?
The canonical SMILES for 2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-ol is CCCC1CCC(O)C(CN(CC(F)(F)F)C2CC2)C1.
What is the InChIKey of 2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-ol?
The InChIKey is GJDWEFLCRJOUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F3NO/c1-2-3-11-4-7-14(20)12(8-11)9-19(13-5-6-13)10-15(16,17)18/h11-14,20H,2-10H2,1H3.
What are the key properties of 2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-ol?
2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-ol has a molecular weight of 293.37 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-ol is sourced from PubChem (CID 62609735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).