(3S)-3-fluoro-3-(4-methylsulfonylphenyl)oxolane

C11H13FO3S — CID 162398286

IUPAC(3S)-3-fluoro-3-(4-methylsulfonylphenyl)oxolane
SMILESCS(=O)(=O)c1ccc([C@@]2(F)CCOC2)cc1
InChIInChI=1S/C11H13FO3S/c1-16(13,14)10-4-2-9(3-5-10)11(12)6-7-15-8-11/h2-5H,6-8H2,1H3/t11-/m1/s1
InChIKeyZJESIFIQMFCCLW-LLVKDONJSA-N
MW244.29 g/mol
LogP1.68
Rot. Bonds2

About (3S)-3-fluoro-3-(4-methylsulfonylphenyl)oxolane

(3S)-3-fluoro-3-(4-methylsulfonylphenyl)oxolane (PubChem CID 162398286) has the molecular formula C11H13FO3S and a molecular weight of 244.29 g/mol. Its IUPAC name is (3S)-3-fluoro-3-(4-methylsulfonylphenyl)oxolane.

Molecular Properties

Compound Name(3S)-3-fluoro-3-(4-methylsulfonylphenyl)oxolane
PubChem CID162398286
Molecular FormulaC11H13FO3S
Molecular Weight244.29 g/mol
Exact Mass244.06
IUPAC Name(3S)-3-fluoro-3-(4-methylsulfonylphenyl)oxolane
SMILESCS(=O)(=O)c1ccc([C@@]2(F)CCOC2)cc1
InChIInChI=1S/C11H13FO3S/c1-16(13,14)10-4-2-9(3-5-10)11(12)6-7-15-8-11/h2-5H,6-8H2,1H3/t11-/m1/s1
InChIKeyZJESIFIQMFCCLW-LLVKDONJSA-N
XLogP1.68
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3S)-3-fluoro-3-(4-methylsulfonylphenyl)oxolane 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-[4-(Methylsulfonyl)phenyl]-1-ethanol
CID 22988427
4-(4-Methanesulfonyl-phenyl)-3-phenyl-5H-[1,2]oxathiole 2-oxide
CID 11450459
4-(2-Methoxyethyl)benzene-1-sulfonyl chloride
CID 16788348
1-(3-Ethoxy-1-fluoropropyl)sulfonyl-4-methylbenzene
CID 121008073
4-(4-Methylsulfonylphenyl)-3-phenyl-5h-furan
CID 101000336
2-(4-Methylsulfonylphenyl)ethyl acetate
CID 152432827
2-(Fluoromethyl)-3-(4-methylsulfonylphenyl)oxirane
CID 13590078
1-(2-Fluoroethoxymethyl)-4-methylsulfonylbenzene
CID 15058784
1-[2-(3-Fluoro-3-methylbutoxy)propan-2-ylsulfonyl]-4-methylbenzene
CID 68372281
2,2-Difluoro-2-[4-(4-methylsulfonylphenyl)phenyl]ethanol
CID 69277490
4-(3-fluorophenyl)-2,2-dimethyl-3-(4-methylsulfonylphenyl)-3H-furan
CID 69329400
3-(3-fluorophenyl)-5,5-dimethyl-4-(4-methylsulfonylphenyl)-2H-furan
CID 69329401

Frequently Asked Questions

What is the IUPAC name of (3S)-3-fluoro-3-(4-methylsulfonylphenyl)oxolane?
The IUPAC name of (3S)-3-fluoro-3-(4-methylsulfonylphenyl)oxolane (CID 162398286) is (3S)-3-fluoro-3-(4-methylsulfonylphenyl)oxolane.
What is the SMILES notation for (3S)-3-fluoro-3-(4-methylsulfonylphenyl)oxolane?
The canonical SMILES for (3S)-3-fluoro-3-(4-methylsulfonylphenyl)oxolane is CS(=O)(=O)c1ccc([C@@]2(F)CCOC2)cc1.
What is the InChIKey of (3S)-3-fluoro-3-(4-methylsulfonylphenyl)oxolane?
The InChIKey is ZJESIFIQMFCCLW-LLVKDONJSA-N. The full InChI is InChI=1S/C11H13FO3S/c1-16(13,14)10-4-2-9(3-5-10)11(12)6-7-15-8-11/h2-5H,6-8H2,1H3/t11-/m1/s1.
What are the key properties of (3S)-3-fluoro-3-(4-methylsulfonylphenyl)oxolane?
(3S)-3-fluoro-3-(4-methylsulfonylphenyl)oxolane has a molecular weight of 244.29 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-fluoro-3-(4-methylsulfonylphenyl)oxolane is sourced from PubChem (CID 162398286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).