2-phenyl-2-(1,2,2-trifluoroethyl)furan-3-one

C12H9F3O2 — CID 68623928

IUPAC2-phenyl-2-(1,2,2-trifluoroethyl)furan-3-one
SMILESO=C1C=COC1(c1ccccc1)C(F)C(F)F
InChIInChI=1S/C12H9F3O2/c13-10(11(14)15)12(9(16)6-7-17-12)8-4-2-1-3-5-8/h1-7,10-11H
InChIKeyFHUCDDXBZCQOGQ-UHFFFAOYSA-N
MW242.20 g/mol
LogP2.60
Rot. Bonds3

About 2-phenyl-2-(1,2,2-trifluoroethyl)furan-3-one

2-phenyl-2-(1,2,2-trifluoroethyl)furan-3-one (PubChem CID 68623928) has the molecular formula C12H9F3O2 and a molecular weight of 242.20 g/mol. Its IUPAC name is 2-phenyl-2-(1,2,2-trifluoroethyl)furan-3-one.

Molecular Properties

Compound Name2-phenyl-2-(1,2,2-trifluoroethyl)furan-3-one
PubChem CID68623928
Molecular FormulaC12H9F3O2
Molecular Weight242.20 g/mol
Exact Mass242.06
IUPAC Name2-phenyl-2-(1,2,2-trifluoroethyl)furan-3-one
SMILESO=C1C=COC1(c1ccccc1)C(F)C(F)F
InChIInChI=1S/C12H9F3O2/c13-10(11(14)15)12(9(16)6-7-17-12)8-4-2-1-3-5-8/h1-7,10-11H
InChIKeyFHUCDDXBZCQOGQ-UHFFFAOYSA-N
XLogP2.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-phenyl-2-(1,2,2-trifluoroethyl)furan-3-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

2,2-diphenylfuran-3-one
CID 154310558
2,2-diphenyl-3H-pyran-4-one
CID 72942613
1-phenylisochromen-1-ol
CID 134891978
3,3-dimethyl-2-phenyl-2H-pyran-4-one
CID 132511833
(2S)-2-tert-butyl-5-[hydroxy(phenyl)methyl]-5-phenyl-1,3-dioxolan-4-one
CID 101350296
3,3,5,5-tetraphenylcyclopentane-1,2-dione
CID 141043374
4,4,5,5-tetraphenyl-1,3-dioxolan-2-one
CID 86177862
4,4-diphenylcyclopentane-1,2-dione
CID 15724710
(1S)-1-fluoro-1-phenylnaphthalen-2-one
CID 155930456
2,3-difluoro-2,3-diphenyloxirane
CID 87247066
2-(1-bromoethyl)-2-methylfuran-3-one
CID 14226253
(5R)-2,5-diphenyl-5-propan-2-yl-1,3-oxazol-4-one
CID 171341368

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-(1,2,2-trifluoroethyl)furan-3-one?
The IUPAC name of 2-phenyl-2-(1,2,2-trifluoroethyl)furan-3-one (CID 68623928) is 2-phenyl-2-(1,2,2-trifluoroethyl)furan-3-one.
What is the SMILES notation for 2-phenyl-2-(1,2,2-trifluoroethyl)furan-3-one?
The canonical SMILES for 2-phenyl-2-(1,2,2-trifluoroethyl)furan-3-one is O=C1C=COC1(c1ccccc1)C(F)C(F)F.
What is the InChIKey of 2-phenyl-2-(1,2,2-trifluoroethyl)furan-3-one?
The InChIKey is FHUCDDXBZCQOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3O2/c13-10(11(14)15)12(9(16)6-7-17-12)8-4-2-1-3-5-8/h1-7,10-11H.
What are the key properties of 2-phenyl-2-(1,2,2-trifluoroethyl)furan-3-one?
2-phenyl-2-(1,2,2-trifluoroethyl)furan-3-one has a molecular weight of 242.20 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-(1,2,2-trifluoroethyl)furan-3-one is sourced from PubChem (CID 68623928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).