1-[5-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]furan-2-yl]propan-2-one

C16H13F3O3 — CID 44551336

IUPAC1-[5-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]furan-2-yl]propan-2-one
SMILESCC(=O)Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C16H13F3O3/c1-10(20)7-13-5-6-14(22-13)9-15(21)11-3-2-4-12(8-11)16(17,18)19/h2-6,8H,7,9H2,1H3
InChIKeyIDYYSJMMAHIKKG-UHFFFAOYSA-N
MW310.27 g/mol
LogP3.86
Rot. Bonds5

About 1-[5-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]furan-2-yl]propan-2-one

1-[5-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]furan-2-yl]propan-2-one (PubChem CID 44551336) has the molecular formula C16H13F3O3 and a molecular weight of 310.27 g/mol. Its IUPAC name is 1-[5-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]furan-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[5-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]furan-2-yl]propan-2-one
PubChem CID44551336
Molecular FormulaC16H13F3O3
Molecular Weight310.27 g/mol
Exact Mass310.08
IUPAC Name1-[5-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]furan-2-yl]propan-2-one
SMILESCC(=O)Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C16H13F3O3/c1-10(20)7-13-5-6-14(22-13)9-15(21)11-3-2-4-12(8-11)16(17,18)19/h2-6,8H,7,9H2,1H3
InChIKeyIDYYSJMMAHIKKG-UHFFFAOYSA-N
XLogP3.86
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.27
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[5-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]furan-2-yl]propan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]furan-2-yl]propan-2-one
CID 44551337
2-(3-methylphenyl)-1-[3-(trifluoromethyl)phenyl]ethanone
CID 60798946
2-iodo-1-[3-(trifluoromethyl)phenyl]ethanone
CID 22137990
2-(5-fluoro-2-methylphenyl)-1-[3-(trifluoromethyl)phenyl]ethanone
CID 105373149
N-(2-oxopropyl)-3-(trifluoromethyl)benzamide
CID 64997394
[[3-(trifluoromethyl)benzoyl]amino] acetate
CID 87589767
3-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]propan-1-one
CID 11000484
2-(2,4-dichlorophenyl)-1-[3-(trifluoromethyl)phenyl]ethanone
CID 63411541
1-[5-[2-chloro-4-(trifluoromethyl)phenyl]furan-2-yl]propan-2-one
CID 63668636
3-(2-methylphenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-one
CID 24725641
2-methyl-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 79190473
1-(4-ethylphenyl)-3-[3-(trifluoromethyl)phenyl]propane-1,3-dione
CID 22947144

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]furan-2-yl]propan-2-one?
The IUPAC name of 1-[5-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]furan-2-yl]propan-2-one (CID 44551336) is 1-[5-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]furan-2-yl]propan-2-one.
What is the SMILES notation for 1-[5-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]furan-2-yl]propan-2-one?
The canonical SMILES for 1-[5-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]furan-2-yl]propan-2-one is CC(=O)Cc1ccc(CC(=O)c2cccc(C(F)(F)F)c2)o1.
What is the InChIKey of 1-[5-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]furan-2-yl]propan-2-one?
The InChIKey is IDYYSJMMAHIKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3O3/c1-10(20)7-13-5-6-14(22-13)9-15(21)11-3-2-4-12(8-11)16(17,18)19/h2-6,8H,7,9H2,1H3.
What are the key properties of 1-[5-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]furan-2-yl]propan-2-one?
1-[5-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]furan-2-yl]propan-2-one has a molecular weight of 310.27 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]furan-2-yl]propan-2-one is sourced from PubChem (CID 44551336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).