2-(1-hydroxycyclohexyl)-N-methyl-N-(3,3,3-trifluoropropyl)acetamide

C12H20F3NO2 — CID 111537249

IUPAC2-(1-hydroxycyclohexyl)-N-methyl-N-(3,3,3-trifluoropropyl)acetamide
SMILESCN(CCC(F)(F)F)C(=O)CC1(O)CCCCC1
InChIInChI=1S/C12H20F3NO2/c1-16(8-7-12(13,14)15)10(17)9-11(18)5-3-2-4-6-11/h18H,2-9H2,1H3
InChIKeyRFAJHGHQLVCAAF-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.48
Rot. Bonds4

About 2-(1-hydroxycyclohexyl)-N-methyl-N-(3,3,3-trifluoropropyl)acetamide

2-(1-hydroxycyclohexyl)-N-methyl-N-(3,3,3-trifluoropropyl)acetamide (PubChem CID 111537249) has the molecular formula C12H20F3NO2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-(1-hydroxycyclohexyl)-N-methyl-N-(3,3,3-trifluoropropyl)acetamide.

Molecular Properties

Compound Name2-(1-hydroxycyclohexyl)-N-methyl-N-(3,3,3-trifluoropropyl)acetamide
PubChem CID111537249
Molecular FormulaC12H20F3NO2
Molecular Weight267.29 g/mol
Exact Mass267.14
IUPAC Name2-(1-hydroxycyclohexyl)-N-methyl-N-(3,3,3-trifluoropropyl)acetamide
SMILESCN(CCC(F)(F)F)C(=O)CC1(O)CCCCC1
InChIInChI=1S/C12H20F3NO2/c1-16(8-7-12(13,14)15)10(17)9-11(18)5-3-2-4-6-11/h18H,2-9H2,1H3
InChIKeyRFAJHGHQLVCAAF-UHFFFAOYSA-N
XLogP2.48
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(1-hydroxycyclohexyl)-N-methyl-N-(3,3,3-trifluoropropyl)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-(1-hydroxycyclohexyl)-N-methyl-N-(3,3,3-trifluoropropyl)acetamide?
The IUPAC name of 2-(1-hydroxycyclohexyl)-N-methyl-N-(3,3,3-trifluoropropyl)acetamide (CID 111537249) is 2-(1-hydroxycyclohexyl)-N-methyl-N-(3,3,3-trifluoropropyl)acetamide.
What is the SMILES notation for 2-(1-hydroxycyclohexyl)-N-methyl-N-(3,3,3-trifluoropropyl)acetamide?
The canonical SMILES for 2-(1-hydroxycyclohexyl)-N-methyl-N-(3,3,3-trifluoropropyl)acetamide is CN(CCC(F)(F)F)C(=O)CC1(O)CCCCC1.
What is the InChIKey of 2-(1-hydroxycyclohexyl)-N-methyl-N-(3,3,3-trifluoropropyl)acetamide?
The InChIKey is RFAJHGHQLVCAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO2/c1-16(8-7-12(13,14)15)10(17)9-11(18)5-3-2-4-6-11/h18H,2-9H2,1H3.
What are the key properties of 2-(1-hydroxycyclohexyl)-N-methyl-N-(3,3,3-trifluoropropyl)acetamide?
2-(1-hydroxycyclohexyl)-N-methyl-N-(3,3,3-trifluoropropyl)acetamide has a molecular weight of 267.29 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxycyclohexyl)-N-methyl-N-(3,3,3-trifluoropropyl)acetamide is sourced from PubChem (CID 111537249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).