2,2,2-trifluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]acetamide

C10H16F3NO2 — CID 62527207

IUPAC2,2,2-trifluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]acetamide
SMILESCC1CCCC(CO)(NC(=O)C(F)(F)F)C1
InChIInChI=1S/C10H16F3NO2/c1-7-3-2-4-9(5-7,6-15)14-8(16)10(11,12)13/h7,15H,2-6H2,1H3,(H,14,16)
InChIKeyZJCCTTXVDYXWCI-UHFFFAOYSA-N
MW239.24 g/mol
LogP1.61
Rot. Bonds2

About 2,2,2-trifluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]acetamide

2,2,2-trifluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]acetamide (PubChem CID 62527207) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]acetamide
PubChem CID62527207
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC Name2,2,2-trifluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]acetamide
SMILESCC1CCCC(CO)(NC(=O)C(F)(F)F)C1
InChIInChI=1S/C10H16F3NO2/c1-7-3-2-4-9(5-7,6-15)14-8(16)10(11,12)13/h7,15H,2-6H2,1H3,(H,14,16)
InChIKeyZJCCTTXVDYXWCI-UHFFFAOYSA-N
XLogP1.61
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2,2,2-trifluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]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 2,2,2-trifluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]acetamide (CID 62527207) is 2,2,2-trifluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]acetamide is CC1CCCC(CO)(NC(=O)C(F)(F)F)C1.
What is the InChIKey of 2,2,2-trifluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]acetamide?
The InChIKey is ZJCCTTXVDYXWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO2/c1-7-3-2-4-9(5-7,6-15)14-8(16)10(11,12)13/h7,15H,2-6H2,1H3,(H,14,16).
What are the key properties of 2,2,2-trifluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]acetamide?
2,2,2-trifluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]acetamide has a molecular weight of 239.24 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]acetamide is sourced from PubChem (CID 62527207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).