4,4,4-trifluoro-N-(3-fluorophenyl)-3-oxobutanamide

C10H7F4NO2 — CID 11391010

IUPAC4,4,4-trifluoro-N-(3-fluorophenyl)-3-oxobutanamide
SMILESO=C(CC(=O)C(F)(F)F)Nc1cccc(F)c1
InChIInChI=1S/C10H7F4NO2/c11-6-2-1-3-7(4-6)15-9(17)5-8(16)10(12,13)14/h1-4H,5H2,(H,15,17)
InChIKeyRYSVTLONGDMNCU-UHFFFAOYSA-N
MW249.16 g/mol
LogP2.29
Rot. Bonds3

About 4,4,4-trifluoro-N-(3-fluorophenyl)-3-oxobutanamide

4,4,4-trifluoro-N-(3-fluorophenyl)-3-oxobutanamide (PubChem CID 11391010) has the molecular formula C10H7F4NO2 and a molecular weight of 249.16 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-(3-fluorophenyl)-3-oxobutanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-(3-fluorophenyl)-3-oxobutanamide
PubChem CID11391010
Molecular FormulaC10H7F4NO2
Molecular Weight249.16 g/mol
Exact Mass249.04
IUPAC Name4,4,4-trifluoro-N-(3-fluorophenyl)-3-oxobutanamide
SMILESO=C(CC(=O)C(F)(F)F)Nc1cccc(F)c1
InChIInChI=1S/C10H7F4NO2/c11-6-2-1-3-7(4-6)15-9(17)5-8(16)10(12,13)14/h1-4H,5H2,(H,15,17)
InChIKeyRYSVTLONGDMNCU-UHFFFAOYSA-N
XLogP2.29
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.16
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-(3-fluorophenyl)propanamide
CID 3555695
2-chloro-N-(3-fluorophenyl)acetamide
CID 2388931
3-[[3-(3-fluoroanilino)-3-oxopropyl]disulfanyl]-N-(3-fluorophenyl)propanamide
CID 44817242
N-ethyl-N'-(3-fluorophenyl)propanediamide
CID 67472700
3-(3-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 109040733
N-(4-ethylphenyl)-N'-(3-fluorophenyl)propanediamide
CID 108954059
3-cyano-N-(3-fluorophenyl)propanamide
CID 82111905
3-[[3-(3-fluoroanilino)-3-oxopropyl]amino]propanoic acid
CID 43466320
3-[bis(2-hydroxyethyl)amino]-N-(3-fluorophenyl)propanamide
CID 62022676
2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetic acid
CID 14802232
N-(3-fluorophenyl)-2-[2-(trifluoromethyl)anilino]acetamide
CID 109009674
2-[[2-(3-fluoroanilino)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79262697

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-(3-fluorophenyl)-3-oxobutanamide?
The IUPAC name of 4,4,4-trifluoro-N-(3-fluorophenyl)-3-oxobutanamide (CID 11391010) is 4,4,4-trifluoro-N-(3-fluorophenyl)-3-oxobutanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-(3-fluorophenyl)-3-oxobutanamide?
The canonical SMILES for 4,4,4-trifluoro-N-(3-fluorophenyl)-3-oxobutanamide is O=C(CC(=O)C(F)(F)F)Nc1cccc(F)c1.
What is the InChIKey of 4,4,4-trifluoro-N-(3-fluorophenyl)-3-oxobutanamide?
The InChIKey is RYSVTLONGDMNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F4NO2/c11-6-2-1-3-7(4-6)15-9(17)5-8(16)10(12,13)14/h1-4H,5H2,(H,15,17).
What are the key properties of 4,4,4-trifluoro-N-(3-fluorophenyl)-3-oxobutanamide?
4,4,4-trifluoro-N-(3-fluorophenyl)-3-oxobutanamide has a molecular weight of 249.16 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-(3-fluorophenyl)-3-oxobutanamide is sourced from PubChem (CID 11391010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).