2-(1-hydroxycyclohexyl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide

C11H18F3NO2 — CID 111537219

IUPAC2-(1-hydroxycyclohexyl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CC(F)(F)F)C(=O)CC1(O)CCCCC1
InChIInChI=1S/C11H18F3NO2/c1-15(8-11(12,13)14)9(16)7-10(17)5-3-2-4-6-10/h17H,2-8H2,1H3
InChIKeyFBTXYKKUEVEEMZ-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.09
Rot. Bonds3

About 2-(1-hydroxycyclohexyl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide

2-(1-hydroxycyclohexyl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 111537219) has the molecular formula C11H18F3NO2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-(1-hydroxycyclohexyl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(1-hydroxycyclohexyl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID111537219
Molecular FormulaC11H18F3NO2
Molecular Weight253.26 g/mol
Exact Mass253.13
IUPAC Name2-(1-hydroxycyclohexyl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CC(F)(F)F)C(=O)CC1(O)CCCCC1
InChIInChI=1S/C11H18F3NO2/c1-15(8-11(12,13)14)9(16)7-10(17)5-3-2-4-6-10/h17H,2-8H2,1H3
InChIKeyFBTXYKKUEVEEMZ-UHFFFAOYSA-N
XLogP2.09
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxycyclohexyl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(1-hydroxycyclohexyl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (CID 111537219) is 2-(1-hydroxycyclohexyl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(1-hydroxycyclohexyl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(1-hydroxycyclohexyl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide is CN(CC(F)(F)F)C(=O)CC1(O)CCCCC1.
What is the InChIKey of 2-(1-hydroxycyclohexyl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is FBTXYKKUEVEEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO2/c1-15(8-11(12,13)14)9(16)7-10(17)5-3-2-4-6-10/h17H,2-8H2,1H3.
What are the key properties of 2-(1-hydroxycyclohexyl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
2-(1-hydroxycyclohexyl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 253.26 g/mol, XLogP of 2.09, 3 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-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 111537219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).