2-phenylmethoxy-N-(2,2,2-trifluoroethoxy)propanamide

C12H14F3NO3 — CID 81341057

IUPAC2-phenylmethoxy-N-(2,2,2-trifluoroethoxy)propanamide
SMILESCC(OCc1ccccc1)C(=O)NOCC(F)(F)F
InChIInChI=1S/C12H14F3NO3/c1-9(11(17)16-19-8-12(13,14)15)18-7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,16,17)
InChIKeyISOJLUFFHWZBSW-UHFFFAOYSA-N
MW277.24 g/mol
LogP2.20
Rot. Bonds6

About 2-phenylmethoxy-N-(2,2,2-trifluoroethoxy)propanamide

2-phenylmethoxy-N-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 81341057) has the molecular formula C12H14F3NO3 and a molecular weight of 277.24 g/mol. Its IUPAC name is 2-phenylmethoxy-N-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound Name2-phenylmethoxy-N-(2,2,2-trifluoroethoxy)propanamide
PubChem CID81341057
Molecular FormulaC12H14F3NO3
Molecular Weight277.24 g/mol
Exact Mass277.09
IUPAC Name2-phenylmethoxy-N-(2,2,2-trifluoroethoxy)propanamide
SMILESCC(OCc1ccccc1)C(=O)NOCC(F)(F)F
InChIInChI=1S/C12H14F3NO3/c1-9(11(17)16-19-8-12(13,14)15)18-7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,16,17)
InChIKeyISOJLUFFHWZBSW-UHFFFAOYSA-N
XLogP2.20
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.24
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-phenylmethoxy-N-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of 2-phenylmethoxy-N-(2,2,2-trifluoroethoxy)propanamide (CID 81341057) is 2-phenylmethoxy-N-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for 2-phenylmethoxy-N-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for 2-phenylmethoxy-N-(2,2,2-trifluoroethoxy)propanamide is CC(OCc1ccccc1)C(=O)NOCC(F)(F)F.
What is the InChIKey of 2-phenylmethoxy-N-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is ISOJLUFFHWZBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO3/c1-9(11(17)16-19-8-12(13,14)15)18-7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,16,17).
What are the key properties of 2-phenylmethoxy-N-(2,2,2-trifluoroethoxy)propanamide?
2-phenylmethoxy-N-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 277.24 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylmethoxy-N-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 81341057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).