4-(3,5-difluorophenyl)-5-(3,4-dimethylthiophen-2-yl)-2,2-dimethylfuran-3-one

C18H16F2O2S — CID 172821616

IUPAC4-(3,5-difluorophenyl)-5-(3,4-dimethylthiophen-2-yl)-2,2-dimethylfuran-3-one
SMILESCc1csc(C2=C(c3cc(F)cc(F)c3)C(=O)C(C)(C)O2)c1C
InChIInChI=1S/C18H16F2O2S/c1-9-8-23-16(10(9)2)15-14(17(21)18(3,4)22-15)11-5-12(19)7-13(20)6-11/h5-8H,1-4H3
InChIKeyUHOBYGBYUQGMBM-UHFFFAOYSA-N
MW334.39 g/mol
LogP4.89
Rot. Bonds2

About 4-(3,5-difluorophenyl)-5-(3,4-dimethylthiophen-2-yl)-2,2-dimethylfuran-3-one

4-(3,5-difluorophenyl)-5-(3,4-dimethylthiophen-2-yl)-2,2-dimethylfuran-3-one (PubChem CID 172821616) has the molecular formula C18H16F2O2S and a molecular weight of 334.39 g/mol. Its IUPAC name is 4-(3,5-difluorophenyl)-5-(3,4-dimethylthiophen-2-yl)-2,2-dimethylfuran-3-one.

Molecular Properties

Compound Name4-(3,5-difluorophenyl)-5-(3,4-dimethylthiophen-2-yl)-2,2-dimethylfuran-3-one
PubChem CID172821616
Molecular FormulaC18H16F2O2S
Molecular Weight334.39 g/mol
Exact Mass334.08
IUPAC Name4-(3,5-difluorophenyl)-5-(3,4-dimethylthiophen-2-yl)-2,2-dimethylfuran-3-one
SMILESCc1csc(C2=C(c3cc(F)cc(F)c3)C(=O)C(C)(C)O2)c1C
InChIInChI=1S/C18H16F2O2S/c1-9-8-23-16(10(9)2)15-14(17(21)18(3,4)22-15)11-5-12(19)7-13(20)6-11/h5-8H,1-4H3
InChIKeyUHOBYGBYUQGMBM-UHFFFAOYSA-N
XLogP4.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(3,5-difluorophenyl)-5-(3,4-dimethylthiophen-2-yl)-2,2-dimethylfuran-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

4-(3,5-difluorophenyl)-5-(2-fluoro-4-sulfanylphenyl)-2,2-dimethylfuran-3-one
CID 70908651
5-(4-aminoperoxysulfanyl-2-fluorophenyl)-4-(3,5-difluorophenyl)-2,2-dimethylfuran-3-one
CID 59243646
4-[3-fluoro-5-(trifluoromethyl)phenyl]-2,2-dimethyl-5-(4-methylsulfinylphenyl)furan-3-one
CID 18386027
4-[4-(3-fluorophenyl)phenyl]-2,2-dimethyl-5-(4-methylsulfonylphenyl)furan-3-one
CID 18386002
4-[3-(3-fluorophenyl)-5,5-dimethyl-4-oxofuran-2-yl]benzenesulfinate
CID 144852186
[4-[3-(3-fluorophenyl)-5,5-dimethyl-4-oxofuran-2-yl]-2-methylphenyl]methyl-oxosulfanium
CID 174434196
4-(3-fluorophenyl)-2,2-dimethyl-5-(3-methyl-4-methylsulfanylphenyl)furan-3-one;4-(3-fluorophenyl)-2,2-dimethyl-5-(3-methyl-4-methylsulfonylphenyl)furan-3-one
CID 158038502
5-(4-aminoperoxysulfanyl-3-methylphenyl)-4-(3-fluorophenyl)-2,2-dimethylfuran-3-one
CID 59243643
4-(3,4-dimethylphenyl)-2,2-dimethyl-5-(4-methylsulfonylphenyl)furan-3-one
CID 18386117
4-(2,5-difluorophenyl)-2,2-dimethyl-5-(4-methylsulfanylphenyl)furan-3-one
CID 18386099
4-(4-ethylsulfonylphenyl)-2,2-dimethyl-5-(4-methylsulfonylphenyl)furan-3-one
CID 18385593
5-(3-chlorophenyl)-2,2-dimethyl-4-(4-methylsulfonylphenyl)furan-3-one
CID 142769918

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-difluorophenyl)-5-(3,4-dimethylthiophen-2-yl)-2,2-dimethylfuran-3-one?
The IUPAC name of 4-(3,5-difluorophenyl)-5-(3,4-dimethylthiophen-2-yl)-2,2-dimethylfuran-3-one (CID 172821616) is 4-(3,5-difluorophenyl)-5-(3,4-dimethylthiophen-2-yl)-2,2-dimethylfuran-3-one.
What is the SMILES notation for 4-(3,5-difluorophenyl)-5-(3,4-dimethylthiophen-2-yl)-2,2-dimethylfuran-3-one?
The canonical SMILES for 4-(3,5-difluorophenyl)-5-(3,4-dimethylthiophen-2-yl)-2,2-dimethylfuran-3-one is Cc1csc(C2=C(c3cc(F)cc(F)c3)C(=O)C(C)(C)O2)c1C.
What is the InChIKey of 4-(3,5-difluorophenyl)-5-(3,4-dimethylthiophen-2-yl)-2,2-dimethylfuran-3-one?
The InChIKey is UHOBYGBYUQGMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2O2S/c1-9-8-23-16(10(9)2)15-14(17(21)18(3,4)22-15)11-5-12(19)7-13(20)6-11/h5-8H,1-4H3.
What are the key properties of 4-(3,5-difluorophenyl)-5-(3,4-dimethylthiophen-2-yl)-2,2-dimethylfuran-3-one?
4-(3,5-difluorophenyl)-5-(3,4-dimethylthiophen-2-yl)-2,2-dimethylfuran-3-one has a molecular weight of 334.39 g/mol, XLogP of 4.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-difluorophenyl)-5-(3,4-dimethylthiophen-2-yl)-2,2-dimethylfuran-3-one is sourced from PubChem (CID 172821616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).