N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide

C12H20F3NO3 — CID 103209082

IUPACN-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCC1CCC(O)(CNC(=O)COCC(F)(F)F)CC1
InChIInChI=1S/C12H20F3NO3/c1-9-2-4-11(18,5-3-9)7-16-10(17)6-19-8-12(13,14)15/h9,18H,2-8H2,1H3,(H,16,17)
InChIKeyMTACOWQJXZZPDA-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.62
Rot. Bonds5

About N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide

N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 103209082) has the molecular formula C12H20F3NO3 and a molecular weight of 283.29 g/mol. Its IUPAC name is N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID103209082
Molecular FormulaC12H20F3NO3
Molecular Weight283.29 g/mol
Exact Mass283.14
IUPAC NameN-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCC1CCC(O)(CNC(=O)COCC(F)(F)F)CC1
InChIInChI=1S/C12H20F3NO3/c1-9-2-4-11(18,5-3-9)7-16-10(17)6-19-8-12(13,14)15/h9,18H,2-8H2,1H3,(H,16,17)
InChIKeyMTACOWQJXZZPDA-UHFFFAOYSA-N
XLogP1.62
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide 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 N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide (CID 103209082) is N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide is CC1CCC(O)(CNC(=O)COCC(F)(F)F)CC1.
What is the InChIKey of N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is MTACOWQJXZZPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO3/c1-9-2-4-11(18,5-3-9)7-16-10(17)6-19-8-12(13,14)15/h9,18H,2-8H2,1H3,(H,16,17).
What are the key properties of N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide?
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 283.29 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 103209082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).