4-(3-fluorophenyl)-3-(4-methylsulfonylphenyl)-2,3-dihydrofuran

C17H15FO3S — CID 70095979

IUPAC4-(3-fluorophenyl)-3-(4-methylsulfonylphenyl)-2,3-dihydrofuran
SMILESCS(=O)(=O)c1ccc(C2COC=C2c2cccc(F)c2)cc1
InChIInChI=1S/C17H15FO3S/c1-22(19,20)15-7-5-12(6-8-15)16-10-21-11-17(16)13-3-2-4-14(18)9-13/h2-9,11,16H,10H2,1H3
InChIKeyZXSZIPVBYOGDAK-UHFFFAOYSA-N
MW318.37 g/mol
LogP3.38
Rot. Bonds3

About 4-(3-fluorophenyl)-3-(4-methylsulfonylphenyl)-2,3-dihydrofuran

4-(3-fluorophenyl)-3-(4-methylsulfonylphenyl)-2,3-dihydrofuran (PubChem CID 70095979) has the molecular formula C17H15FO3S and a molecular weight of 318.37 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-3-(4-methylsulfonylphenyl)-2,3-dihydrofuran.

Molecular Properties

Compound Name4-(3-fluorophenyl)-3-(4-methylsulfonylphenyl)-2,3-dihydrofuran
PubChem CID70095979
Molecular FormulaC17H15FO3S
Molecular Weight318.37 g/mol
Exact Mass318.07
IUPAC Name4-(3-fluorophenyl)-3-(4-methylsulfonylphenyl)-2,3-dihydrofuran
SMILESCS(=O)(=O)c1ccc(C2COC=C2c2cccc(F)c2)cc1
InChIInChI=1S/C17H15FO3S/c1-22(19,20)15-7-5-12(6-8-15)16-10-21-11-17(16)13-3-2-4-14(18)9-13/h2-9,11,16H,10H2,1H3
InChIKeyZXSZIPVBYOGDAK-UHFFFAOYSA-N
XLogP3.38
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methylsulfonylphenyl)-3-phenyl-3H-furan-2-one
CID 69758595
4-(4-Methanesulfonyl-phenyl)-3-phenyl-5H-[1,2]oxathiole 2-oxide
CID 11450459
2-(4-Fluorophenyl)ethyl 4-methylbenzenesulfonate
CID 17390106
(2R,3S)-4-(4-methylphenyl)sulfonyl-3-phenyl-5-(trifluoromethyl)-2,3-dihydrofuran-2-carbonitrile
CID 59052518
2-(2,3-Difluorophenyl)ethyl 4-methylbenzenesulfonate
CID 86648168
(R)-3-fluoro-3-phenyl-8-tosyloctan-1-ol
CID 138375715
(3S)-3-fluoro-3-(4-methylsulfonylphenyl)oxolane
CID 162398286
2-Phenylpropyl 4-methylbenzene-1-sulfonate
CID 13791930
Toluene-4-sulfonic acid (S)-2-phenyl-propyl ester
CID 13791931
4-(4-Methylsulfonylphenyl)-3-phenyl-5h-furan
CID 101000336
(3,3,3-Trifluoro-2-phenylpropyl) 4-methylbenzenesulfonate
CID 287251
[(3R)-3-(4-fluorophenyl)butyl] 4-methylbenzenesulfonate
CID 11186338

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-3-(4-methylsulfonylphenyl)-2,3-dihydrofuran?
The IUPAC name of 4-(3-fluorophenyl)-3-(4-methylsulfonylphenyl)-2,3-dihydrofuran (CID 70095979) is 4-(3-fluorophenyl)-3-(4-methylsulfonylphenyl)-2,3-dihydrofuran.
What is the SMILES notation for 4-(3-fluorophenyl)-3-(4-methylsulfonylphenyl)-2,3-dihydrofuran?
The canonical SMILES for 4-(3-fluorophenyl)-3-(4-methylsulfonylphenyl)-2,3-dihydrofuran is CS(=O)(=O)c1ccc(C2COC=C2c2cccc(F)c2)cc1.
What is the InChIKey of 4-(3-fluorophenyl)-3-(4-methylsulfonylphenyl)-2,3-dihydrofuran?
The InChIKey is ZXSZIPVBYOGDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FO3S/c1-22(19,20)15-7-5-12(6-8-15)16-10-21-11-17(16)13-3-2-4-14(18)9-13/h2-9,11,16H,10H2,1H3.
What are the key properties of 4-(3-fluorophenyl)-3-(4-methylsulfonylphenyl)-2,3-dihydrofuran?
4-(3-fluorophenyl)-3-(4-methylsulfonylphenyl)-2,3-dihydrofuran has a molecular weight of 318.37 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-3-(4-methylsulfonylphenyl)-2,3-dihydrofuran is sourced from PubChem (CID 70095979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).