2-propoxy-N-[3-(trifluoromethyl)cyclohexyl]acetamide

C12H20F3NO2 — CID 48674624

IUPAC2-propoxy-N-[3-(trifluoromethyl)cyclohexyl]acetamide
SMILESCCCOCC(=O)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H20F3NO2/c1-2-6-18-8-11(17)16-10-5-3-4-9(7-10)12(13,14)15/h9-10H,2-8H2,1H3,(H,16,17)
InChIKeyIMOCPIHEPVAVDL-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.65
Rot. Bonds5

About 2-propoxy-N-[3-(trifluoromethyl)cyclohexyl]acetamide

2-propoxy-N-[3-(trifluoromethyl)cyclohexyl]acetamide (PubChem CID 48674624) has the molecular formula C12H20F3NO2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-propoxy-N-[3-(trifluoromethyl)cyclohexyl]acetamide.

Molecular Properties

Compound Name2-propoxy-N-[3-(trifluoromethyl)cyclohexyl]acetamide
PubChem CID48674624
Molecular FormulaC12H20F3NO2
Molecular Weight267.29 g/mol
Exact Mass267.14
IUPAC Name2-propoxy-N-[3-(trifluoromethyl)cyclohexyl]acetamide
SMILESCCCOCC(=O)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H20F3NO2/c1-2-6-18-8-11(17)16-10-5-3-4-9(7-10)12(13,14)15/h9-10H,2-8H2,1H3,(H,16,17)
InChIKeyIMOCPIHEPVAVDL-UHFFFAOYSA-N
XLogP2.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-propoxy-N-[3-(trifluoromethyl)cyclohexyl]acetamide?
The IUPAC name of 2-propoxy-N-[3-(trifluoromethyl)cyclohexyl]acetamide (CID 48674624) is 2-propoxy-N-[3-(trifluoromethyl)cyclohexyl]acetamide.
What is the SMILES notation for 2-propoxy-N-[3-(trifluoromethyl)cyclohexyl]acetamide?
The canonical SMILES for 2-propoxy-N-[3-(trifluoromethyl)cyclohexyl]acetamide is CCCOCC(=O)NC1CCCC(C(F)(F)F)C1.
What is the InChIKey of 2-propoxy-N-[3-(trifluoromethyl)cyclohexyl]acetamide?
The InChIKey is IMOCPIHEPVAVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO2/c1-2-6-18-8-11(17)16-10-5-3-4-9(7-10)12(13,14)15/h9-10H,2-8H2,1H3,(H,16,17).
What are the key properties of 2-propoxy-N-[3-(trifluoromethyl)cyclohexyl]acetamide?
2-propoxy-N-[3-(trifluoromethyl)cyclohexyl]acetamide has a molecular weight of 267.29 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxy-N-[3-(trifluoromethyl)cyclohexyl]acetamide is sourced from PubChem (CID 48674624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).