4-propan-2-yl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol

C15H28F3NO — CID 62704357

IUPAC4-propan-2-yl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol
SMILESCCCN(CC1CC(C(C)C)CCC1O)CC(F)(F)F
InChIInChI=1S/C15H28F3NO/c1-4-7-19(10-15(16,17)18)9-13-8-12(11(2)3)5-6-14(13)20/h11-14,20H,4-10H2,1-3H3
InChIKeyWODFJSAYXRVDNX-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.69
Rot. Bonds6

About 4-propan-2-yl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol

4-propan-2-yl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol (PubChem CID 62704357) has the molecular formula C15H28F3NO and a molecular weight of 295.39 g/mol. Its IUPAC name is 4-propan-2-yl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-propan-2-yl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol
PubChem CID62704357
Molecular FormulaC15H28F3NO
Molecular Weight295.39 g/mol
Exact Mass295.21
IUPAC Name4-propan-2-yl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol
SMILESCCCN(CC1CC(C(C)C)CCC1O)CC(F)(F)F
InChIInChI=1S/C15H28F3NO/c1-4-7-19(10-15(16,17)18)9-13-8-12(11(2)3)5-6-14(13)20/h11-14,20H,4-10H2,1-3H3
InChIKeyWODFJSAYXRVDNX-UHFFFAOYSA-N
XLogP3.69
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-propan-2-yl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-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 4-propan-2-yl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-propan-2-yl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol (CID 62704357) is 4-propan-2-yl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-propan-2-yl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-propan-2-yl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol is CCCN(CC1CC(C(C)C)CCC1O)CC(F)(F)F.
What is the InChIKey of 4-propan-2-yl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol?
The InChIKey is WODFJSAYXRVDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F3NO/c1-4-7-19(10-15(16,17)18)9-13-8-12(11(2)3)5-6-14(13)20/h11-14,20H,4-10H2,1-3H3.
What are the key properties of 4-propan-2-yl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol?
4-propan-2-yl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol has a molecular weight of 295.39 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 62704357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).