2,2,2-trifluoro-N-(4-hydroxycyclohexyl)-N-methylacetamide

C9H14F3NO2 — CID 58468184

IUPAC2,2,2-trifluoro-N-(4-hydroxycyclohexyl)-N-methylacetamide
SMILESCN(C(=O)C(F)(F)F)C1CCC(O)CC1
InChIInChI=1S/C9H14F3NO2/c1-13(8(15)9(10,11)12)6-2-4-7(14)5-3-6/h6-7,14H,2-5H2,1H3
InChIKeyLKJLTLWUXVSMNN-UHFFFAOYSA-N
MW225.21 g/mol
LogP1.31
Rot. Bonds1

About 2,2,2-trifluoro-N-(4-hydroxycyclohexyl)-N-methylacetamide

2,2,2-trifluoro-N-(4-hydroxycyclohexyl)-N-methylacetamide (PubChem CID 58468184) has the molecular formula C9H14F3NO2 and a molecular weight of 225.21 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(4-hydroxycyclohexyl)-N-methylacetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(4-hydroxycyclohexyl)-N-methylacetamide
PubChem CID58468184
Molecular FormulaC9H14F3NO2
Molecular Weight225.21 g/mol
Exact Mass225.10
IUPAC Name2,2,2-trifluoro-N-(4-hydroxycyclohexyl)-N-methylacetamide
SMILESCN(C(=O)C(F)(F)F)C1CCC(O)CC1
InChIInChI=1S/C9H14F3NO2/c1-13(8(15)9(10,11)12)6-2-4-7(14)5-3-6/h6-7,14H,2-5H2,1H3
InChIKeyLKJLTLWUXVSMNN-UHFFFAOYSA-N
XLogP1.31
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(4-hydroxycyclohexyl)-N-methylacetamide?
The IUPAC name of 2,2,2-trifluoro-N-(4-hydroxycyclohexyl)-N-methylacetamide (CID 58468184) is 2,2,2-trifluoro-N-(4-hydroxycyclohexyl)-N-methylacetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(4-hydroxycyclohexyl)-N-methylacetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(4-hydroxycyclohexyl)-N-methylacetamide is CN(C(=O)C(F)(F)F)C1CCC(O)CC1.
What is the InChIKey of 2,2,2-trifluoro-N-(4-hydroxycyclohexyl)-N-methylacetamide?
The InChIKey is LKJLTLWUXVSMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO2/c1-13(8(15)9(10,11)12)6-2-4-7(14)5-3-6/h6-7,14H,2-5H2,1H3.
What are the key properties of 2,2,2-trifluoro-N-(4-hydroxycyclohexyl)-N-methylacetamide?
2,2,2-trifluoro-N-(4-hydroxycyclohexyl)-N-methylacetamide has a molecular weight of 225.21 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(4-hydroxycyclohexyl)-N-methylacetamide is sourced from PubChem (CID 58468184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).