3-fluoro-2-(4-fluorophenyl)-4-methyl-2H-furan-5-one

C11H8F2O2 — CID 44605460

IUPAC3-fluoro-2-(4-fluorophenyl)-4-methyl-2H-furan-5-one
SMILESCC1=C(F)C(c2ccc(F)cc2)OC1=O
InChIInChI=1S/C11H8F2O2/c1-6-9(13)10(15-11(6)14)7-2-4-8(12)5-3-7/h2-5,10H,1H3
InChIKeyBROYOCZLQBWBOS-UHFFFAOYSA-N
MW210.18 g/mol
LogP2.67
Rot. Bonds1

About 3-fluoro-2-(4-fluorophenyl)-4-methyl-2H-furan-5-one

3-fluoro-2-(4-fluorophenyl)-4-methyl-2H-furan-5-one (PubChem CID 44605460) has the molecular formula C11H8F2O2 and a molecular weight of 210.18 g/mol. Its IUPAC name is 3-fluoro-2-(4-fluorophenyl)-4-methyl-2H-furan-5-one.

Molecular Properties

Compound Name3-fluoro-2-(4-fluorophenyl)-4-methyl-2H-furan-5-one
PubChem CID44605460
Molecular FormulaC11H8F2O2
Molecular Weight210.18 g/mol
Exact Mass210.05
IUPAC Name3-fluoro-2-(4-fluorophenyl)-4-methyl-2H-furan-5-one
SMILESCC1=C(F)C(c2ccc(F)cc2)OC1=O
InChIInChI=1S/C11H8F2O2/c1-6-9(13)10(15-11(6)14)7-2-4-8(12)5-3-7/h2-5,10H,1H3
InChIKeyBROYOCZLQBWBOS-UHFFFAOYSA-N
XLogP2.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.18
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluorophenyl)-3,4-dihydroxy-2H-furan-5-one
CID 86296038
(2R)-4-methyl-3-[(2R)-4-methyl-5-oxo-2-phenyl-2H-furan-3-yl]-2-phenyl-2H-furan-5-one
CID 102397882
3-chloro-4-methyl-2-phenyl-2H-furan-5-one
CID 10560334
4,5,9,10-tetrakis(4-fluorophenyl)tricyclo[6.2.0.03,6]decane-2,7-dione
CID 122374958
4-methyl-5-oxo-2-phenyl-2H-furan-3-carboxylic acid
CID 141356262
4-methyl-2-phenyl-3-phenylsulfanyl-2H-furan-5-one
CID 14004446
5-[4-(4-fluorophenyl)phenyl]-3-hydroxyoxolane-2,4-dione
CID 91118384
(4S)-4-amino-5-(4-fluorophenyl)oxolan-2-one
CID 70259290
(4R,5R)-3-tert-butyl-5-(4-fluorophenyl)-4-methyl-1,3-oxazolidin-2-one
CID 59135116
(4R,5R)-3-ethyl-5-(4-fluorophenyl)-4-methyl-1,3-oxazolidin-2-one
CID 71101035
4-acetyl-5-(4-fluorophenyl)oxolan-2-one
CID 3021196
(6S)-2-methyl-6-phenyl-4H-1,3,4-oxadiazin-5-one
CID 71425586

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(4-fluorophenyl)-4-methyl-2H-furan-5-one?
The IUPAC name of 3-fluoro-2-(4-fluorophenyl)-4-methyl-2H-furan-5-one (CID 44605460) is 3-fluoro-2-(4-fluorophenyl)-4-methyl-2H-furan-5-one.
What is the SMILES notation for 3-fluoro-2-(4-fluorophenyl)-4-methyl-2H-furan-5-one?
The canonical SMILES for 3-fluoro-2-(4-fluorophenyl)-4-methyl-2H-furan-5-one is CC1=C(F)C(c2ccc(F)cc2)OC1=O.
What is the InChIKey of 3-fluoro-2-(4-fluorophenyl)-4-methyl-2H-furan-5-one?
The InChIKey is BROYOCZLQBWBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2O2/c1-6-9(13)10(15-11(6)14)7-2-4-8(12)5-3-7/h2-5,10H,1H3.
What are the key properties of 3-fluoro-2-(4-fluorophenyl)-4-methyl-2H-furan-5-one?
3-fluoro-2-(4-fluorophenyl)-4-methyl-2H-furan-5-one has a molecular weight of 210.18 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(4-fluorophenyl)-4-methyl-2H-furan-5-one is sourced from PubChem (CID 44605460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).