5-cyclohexyl-1-[methyl(2,2,2-trifluoroethyl)amino]pentane-2,3-diol

C14H26F3NO2 — CID 70049568

IUPAC5-cyclohexyl-1-[methyl(2,2,2-trifluoroethyl)amino]pentane-2,3-diol
SMILESCN(CC(O)C(O)CCC1CCCCC1)CC(F)(F)F
InChIInChI=1S/C14H26F3NO2/c1-18(10-14(15,16)17)9-13(20)12(19)8-7-11-5-3-2-4-6-11/h11-13,19-20H,2-10H2,1H3
InChIKeyKCHJZTDJFLSJGQ-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.56
Rot. Bonds7

About 5-cyclohexyl-1-[methyl(2,2,2-trifluoroethyl)amino]pentane-2,3-diol

5-cyclohexyl-1-[methyl(2,2,2-trifluoroethyl)amino]pentane-2,3-diol (PubChem CID 70049568) has the molecular formula C14H26F3NO2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 5-cyclohexyl-1-[methyl(2,2,2-trifluoroethyl)amino]pentane-2,3-diol.

Molecular Properties

Compound Name5-cyclohexyl-1-[methyl(2,2,2-trifluoroethyl)amino]pentane-2,3-diol
PubChem CID70049568
Molecular FormulaC14H26F3NO2
Molecular Weight297.36 g/mol
Exact Mass297.19
IUPAC Name5-cyclohexyl-1-[methyl(2,2,2-trifluoroethyl)amino]pentane-2,3-diol
SMILESCN(CC(O)C(O)CCC1CCCCC1)CC(F)(F)F
InChIInChI=1S/C14H26F3NO2/c1-18(10-14(15,16)17)9-13(20)12(19)8-7-11-5-3-2-4-6-11/h11-13,19-20H,2-10H2,1H3
InChIKeyKCHJZTDJFLSJGQ-UHFFFAOYSA-N
XLogP2.56
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-cyclohexyl-1-[methyl(2,2,2-trifluoroethyl)amino]pentane-2,3-diol 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 5-cyclohexyl-1-[methyl(2,2,2-trifluoroethyl)amino]pentane-2,3-diol?
The IUPAC name of 5-cyclohexyl-1-[methyl(2,2,2-trifluoroethyl)amino]pentane-2,3-diol (CID 70049568) is 5-cyclohexyl-1-[methyl(2,2,2-trifluoroethyl)amino]pentane-2,3-diol.
What is the SMILES notation for 5-cyclohexyl-1-[methyl(2,2,2-trifluoroethyl)amino]pentane-2,3-diol?
The canonical SMILES for 5-cyclohexyl-1-[methyl(2,2,2-trifluoroethyl)amino]pentane-2,3-diol is CN(CC(O)C(O)CCC1CCCCC1)CC(F)(F)F.
What is the InChIKey of 5-cyclohexyl-1-[methyl(2,2,2-trifluoroethyl)amino]pentane-2,3-diol?
The InChIKey is KCHJZTDJFLSJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3NO2/c1-18(10-14(15,16)17)9-13(20)12(19)8-7-11-5-3-2-4-6-11/h11-13,19-20H,2-10H2,1H3.
What are the key properties of 5-cyclohexyl-1-[methyl(2,2,2-trifluoroethyl)amino]pentane-2,3-diol?
5-cyclohexyl-1-[methyl(2,2,2-trifluoroethyl)amino]pentane-2,3-diol has a molecular weight of 297.36 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-1-[methyl(2,2,2-trifluoroethyl)amino]pentane-2,3-diol is sourced from PubChem (CID 70049568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).