2,2,2-trifluoro-N-(1-hydroxycyclohexyl)-N-methylacetamide

C9H14F3NO2 — CID 19069638

IUPAC2,2,2-trifluoro-N-(1-hydroxycyclohexyl)-N-methylacetamide
SMILESCN(C(=O)C(F)(F)F)C1(O)CCCCC1
InChIInChI=1S/C9H14F3NO2/c1-13(7(14)9(10,11)12)8(15)5-3-2-4-6-8/h15H,2-6H2,1H3
InChIKeySLECOEITHMYWBA-UHFFFAOYSA-N
MW225.21 g/mol
LogP1.66
Rot. Bonds1

About 2,2,2-trifluoro-N-(1-hydroxycyclohexyl)-N-methylacetamide

2,2,2-trifluoro-N-(1-hydroxycyclohexyl)-N-methylacetamide (PubChem CID 19069638) has the molecular formula C9H14F3NO2 and a molecular weight of 225.21 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(1-hydroxycyclohexyl)-N-methylacetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(1-hydroxycyclohexyl)-N-methylacetamide
PubChem CID19069638
Molecular FormulaC9H14F3NO2
Molecular Weight225.21 g/mol
Exact Mass225.10
IUPAC Name2,2,2-trifluoro-N-(1-hydroxycyclohexyl)-N-methylacetamide
SMILESCN(C(=O)C(F)(F)F)C1(O)CCCCC1
InChIInChI=1S/C9H14F3NO2/c1-13(7(14)9(10,11)12)8(15)5-3-2-4-6-8/h15H,2-6H2,1H3
InChIKeySLECOEITHMYWBA-UHFFFAOYSA-N
XLogP1.66
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 ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(1-hydroxycyclohexyl)-N-methylacetamide?
The IUPAC name of 2,2,2-trifluoro-N-(1-hydroxycyclohexyl)-N-methylacetamide (CID 19069638) is 2,2,2-trifluoro-N-(1-hydroxycyclohexyl)-N-methylacetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(1-hydroxycyclohexyl)-N-methylacetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(1-hydroxycyclohexyl)-N-methylacetamide is CN(C(=O)C(F)(F)F)C1(O)CCCCC1.
What is the InChIKey of 2,2,2-trifluoro-N-(1-hydroxycyclohexyl)-N-methylacetamide?
The InChIKey is SLECOEITHMYWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO2/c1-13(7(14)9(10,11)12)8(15)5-3-2-4-6-8/h15H,2-6H2,1H3.
What are the key properties of 2,2,2-trifluoro-N-(1-hydroxycyclohexyl)-N-methylacetamide?
2,2,2-trifluoro-N-(1-hydroxycyclohexyl)-N-methylacetamide has a molecular weight of 225.21 g/mol, XLogP of 1.66, 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-(1-hydroxycyclohexyl)-N-methylacetamide is sourced from PubChem (CID 19069638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).