2-(3-fluorophenoxy)-N-(2,2,2-trifluoroethoxy)propanamide

C11H11F4NO3 — CID 81339909

IUPAC2-(3-fluorophenoxy)-N-(2,2,2-trifluoroethoxy)propanamide
SMILESCC(Oc1cccc(F)c1)C(=O)NOCC(F)(F)F
InChIInChI=1S/C11H11F4NO3/c1-7(10(17)16-18-6-11(13,14)15)19-9-4-2-3-8(12)5-9/h2-5,7H,6H2,1H3,(H,16,17)
InChIKeyMDPOETGXFZTMIE-UHFFFAOYSA-N
MW281.20 g/mol
LogP2.20
Rot. Bonds5

About 2-(3-fluorophenoxy)-N-(2,2,2-trifluoroethoxy)propanamide

2-(3-fluorophenoxy)-N-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 81339909) has the molecular formula C11H11F4NO3 and a molecular weight of 281.20 g/mol. Its IUPAC name is 2-(3-fluorophenoxy)-N-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound Name2-(3-fluorophenoxy)-N-(2,2,2-trifluoroethoxy)propanamide
PubChem CID81339909
Molecular FormulaC11H11F4NO3
Molecular Weight281.20 g/mol
Exact Mass281.07
IUPAC Name2-(3-fluorophenoxy)-N-(2,2,2-trifluoroethoxy)propanamide
SMILESCC(Oc1cccc(F)c1)C(=O)NOCC(F)(F)F
InChIInChI=1S/C11H11F4NO3/c1-7(10(17)16-18-6-11(13,14)15)19-9-4-2-3-8(12)5-9/h2-5,7H,6H2,1H3,(H,16,17)
InChIKeyMDPOETGXFZTMIE-UHFFFAOYSA-N
XLogP2.20
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.20
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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Related Compounds

(2R)-2-(3-fluorophenoxy)-N-[(3R)-4,4,4-trifluoro-3-hydroxybutyl]propanamide
CID 100617899
2-(3-fluorophenoxy)-N-(2-methoxyethyl)propanamide
CID 60675242
N-(2-ethyl-2-hydroxybutyl)-2-(3-fluorophenoxy)propanamide
CID 65113929
N-(2-ethylphenyl)-2-(3-fluorophenoxy)propanamide
CID 86918484
(2S)-2-(3-fluorophenoxy)-N-(2-phenoxyethyl)propanamide
CID 30865784
2-(3-fluorophenoxy)-N-(1-hydroxybutan-2-yl)propanamide
CID 43417847
2-(3-fluorophenoxy)-N-[2-(hydroxymethyl)phenyl]propanamide
CID 61497915
(2S)-3-[2-(3-fluorophenoxy)propanoylamino]-2-hydroxypropanoic acid
CID 107833758
(2R)-4-amino-2-[2-(3-fluorophenoxy)propanoylamino]-4-oxobutanoic acid
CID 107821491
2-(3-fluorophenoxy)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)propanamide
CID 103940911
2-(3-fluorophenoxy)propanoyl chloride
CID 139218096
(2S)-2-[2-(3-fluorophenoxy)propanoylamino]-4-methylpentanoic acid
CID 61155162

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenoxy)-N-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of 2-(3-fluorophenoxy)-N-(2,2,2-trifluoroethoxy)propanamide (CID 81339909) is 2-(3-fluorophenoxy)-N-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for 2-(3-fluorophenoxy)-N-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for 2-(3-fluorophenoxy)-N-(2,2,2-trifluoroethoxy)propanamide is CC(Oc1cccc(F)c1)C(=O)NOCC(F)(F)F.
What is the InChIKey of 2-(3-fluorophenoxy)-N-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is MDPOETGXFZTMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F4NO3/c1-7(10(17)16-18-6-11(13,14)15)19-9-4-2-3-8(12)5-9/h2-5,7H,6H2,1H3,(H,16,17).
What are the key properties of 2-(3-fluorophenoxy)-N-(2,2,2-trifluoroethoxy)propanamide?
2-(3-fluorophenoxy)-N-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 281.20 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenoxy)-N-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 81339909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).