1-(3-methylcyclohexyl)oxy-3-(2,2,2-trifluoroethylamino)propan-2-ol

C12H22F3NO2 — CID 60632593

IUPAC1-(3-methylcyclohexyl)oxy-3-(2,2,2-trifluoroethylamino)propan-2-ol
SMILESCC1CCCC(OCC(O)CNCC(F)(F)F)C1
InChIInChI=1S/C12H22F3NO2/c1-9-3-2-4-11(5-9)18-7-10(17)6-16-8-12(13,14)15/h9-11,16-17H,2-8H2,1H3
InChIKeyBUHWKQIFYQOFKV-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.09
Rot. Bonds6

About 1-(3-methylcyclohexyl)oxy-3-(2,2,2-trifluoroethylamino)propan-2-ol

1-(3-methylcyclohexyl)oxy-3-(2,2,2-trifluoroethylamino)propan-2-ol (PubChem CID 60632593) has the molecular formula C12H22F3NO2 and a molecular weight of 269.31 g/mol. Its IUPAC name is 1-(3-methylcyclohexyl)oxy-3-(2,2,2-trifluoroethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(3-methylcyclohexyl)oxy-3-(2,2,2-trifluoroethylamino)propan-2-ol
PubChem CID60632593
Molecular FormulaC12H22F3NO2
Molecular Weight269.31 g/mol
Exact Mass269.16
IUPAC Name1-(3-methylcyclohexyl)oxy-3-(2,2,2-trifluoroethylamino)propan-2-ol
SMILESCC1CCCC(OCC(O)CNCC(F)(F)F)C1
InChIInChI=1S/C12H22F3NO2/c1-9-3-2-4-11(5-9)18-7-10(17)6-16-8-12(13,14)15/h9-11,16-17H,2-8H2,1H3
InChIKeyBUHWKQIFYQOFKV-UHFFFAOYSA-N
XLogP2.09
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(3-methylcyclohexyl)oxy-3-(2,2,2-trifluoroethylamino)propan-2-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 1-(3-methylcyclohexyl)oxy-3-(2,2,2-trifluoroethylamino)propan-2-ol?
The IUPAC name of 1-(3-methylcyclohexyl)oxy-3-(2,2,2-trifluoroethylamino)propan-2-ol (CID 60632593) is 1-(3-methylcyclohexyl)oxy-3-(2,2,2-trifluoroethylamino)propan-2-ol.
What is the SMILES notation for 1-(3-methylcyclohexyl)oxy-3-(2,2,2-trifluoroethylamino)propan-2-ol?
The canonical SMILES for 1-(3-methylcyclohexyl)oxy-3-(2,2,2-trifluoroethylamino)propan-2-ol is CC1CCCC(OCC(O)CNCC(F)(F)F)C1.
What is the InChIKey of 1-(3-methylcyclohexyl)oxy-3-(2,2,2-trifluoroethylamino)propan-2-ol?
The InChIKey is BUHWKQIFYQOFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO2/c1-9-3-2-4-11(5-9)18-7-10(17)6-16-8-12(13,14)15/h9-11,16-17H,2-8H2,1H3.
What are the key properties of 1-(3-methylcyclohexyl)oxy-3-(2,2,2-trifluoroethylamino)propan-2-ol?
1-(3-methylcyclohexyl)oxy-3-(2,2,2-trifluoroethylamino)propan-2-ol has a molecular weight of 269.31 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylcyclohexyl)oxy-3-(2,2,2-trifluoroethylamino)propan-2-ol is sourced from PubChem (CID 60632593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).