N-ethyl-2,2,2-trifluoro-N-phenylmethoxyacetamide

C11H12F3NO2 — CID 134886592

IUPACN-ethyl-2,2,2-trifluoro-N-phenylmethoxyacetamide
SMILESCCN(OCc1ccccc1)C(=O)C(F)(F)F
InChIInChI=1S/C11H12F3NO2/c1-2-15(10(16)11(12,13)14)17-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKeyMCCCBBRFPUDHLY-UHFFFAOYSA-N
MW247.22 g/mol
LogP2.53
Rot. Bonds4

About N-ethyl-2,2,2-trifluoro-N-phenylmethoxyacetamide

N-ethyl-2,2,2-trifluoro-N-phenylmethoxyacetamide (PubChem CID 134886592) has the molecular formula C11H12F3NO2 and a molecular weight of 247.22 g/mol. Its IUPAC name is N-ethyl-2,2,2-trifluoro-N-phenylmethoxyacetamide.

Molecular Properties

Compound NameN-ethyl-2,2,2-trifluoro-N-phenylmethoxyacetamide
PubChem CID134886592
Molecular FormulaC11H12F3NO2
Molecular Weight247.22 g/mol
Exact Mass247.08
IUPAC NameN-ethyl-2,2,2-trifluoro-N-phenylmethoxyacetamide
SMILESCCN(OCc1ccccc1)C(=O)C(F)(F)F
InChIInChI=1S/C11H12F3NO2/c1-2-15(10(16)11(12,13)14)17-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKeyMCCCBBRFPUDHLY-UHFFFAOYSA-N
XLogP2.53
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2,2-trifluoro-N-phenylmethoxyacetamide?
The IUPAC name of N-ethyl-2,2,2-trifluoro-N-phenylmethoxyacetamide (CID 134886592) is N-ethyl-2,2,2-trifluoro-N-phenylmethoxyacetamide.
What is the SMILES notation for N-ethyl-2,2,2-trifluoro-N-phenylmethoxyacetamide?
The canonical SMILES for N-ethyl-2,2,2-trifluoro-N-phenylmethoxyacetamide is CCN(OCc1ccccc1)C(=O)C(F)(F)F.
What is the InChIKey of N-ethyl-2,2,2-trifluoro-N-phenylmethoxyacetamide?
The InChIKey is MCCCBBRFPUDHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO2/c1-2-15(10(16)11(12,13)14)17-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3.
What are the key properties of N-ethyl-2,2,2-trifluoro-N-phenylmethoxyacetamide?
N-ethyl-2,2,2-trifluoro-N-phenylmethoxyacetamide has a molecular weight of 247.22 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2,2-trifluoro-N-phenylmethoxyacetamide is sourced from PubChem (CID 134886592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).