(3S,5R)-3-fluoro-5-phenyl-3-phenylsulfanyloxolan-2-one

C16H13FO2S — CID 11748209

IUPAC(3S,5R)-3-fluoro-5-phenyl-3-phenylsulfanyloxolan-2-one
SMILESO=C1O[C@@H](c2ccccc2)C[C@]1(F)Sc1ccccc1
InChIInChI=1S/C16H13FO2S/c17-16(20-13-9-5-2-6-10-13)11-14(19-15(16)18)12-7-3-1-4-8-12/h1-10,14H,11H2/t14-,16+/m1/s1
InChIKeyIDWCXMNZQWOAPT-ZBFHGGJFSA-N
MW288.34 g/mol
LogP4.13
Rot. Bonds3

About (3S,5R)-3-fluoro-5-phenyl-3-phenylsulfanyloxolan-2-one

(3S,5R)-3-fluoro-5-phenyl-3-phenylsulfanyloxolan-2-one (PubChem CID 11748209) has the molecular formula C16H13FO2S and a molecular weight of 288.34 g/mol. Its IUPAC name is (3S,5R)-3-fluoro-5-phenyl-3-phenylsulfanyloxolan-2-one.

Molecular Properties

Compound Name(3S,5R)-3-fluoro-5-phenyl-3-phenylsulfanyloxolan-2-one
PubChem CID11748209
Molecular FormulaC16H13FO2S
Molecular Weight288.34 g/mol
Exact Mass288.06
IUPAC Name(3S,5R)-3-fluoro-5-phenyl-3-phenylsulfanyloxolan-2-one
SMILESO=C1O[C@@H](c2ccccc2)C[C@]1(F)Sc1ccccc1
InChIInChI=1S/C16H13FO2S/c17-16(20-13-9-5-2-6-10-13)11-14(19-15(16)18)12-7-3-1-4-8-12/h1-10,14H,11H2/t14-,16+/m1/s1
InChIKeyIDWCXMNZQWOAPT-ZBFHGGJFSA-N
XLogP4.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)-2H-furan-5-one
CID 118721980
gamma-(4-Fluorophenyl)-gamma-butyrolactone
CID 103541
Tetramic acid, 72
CID 91899482
Tetramic acid, 74
CID 91899483
(3E)-3-benzylidene-5-phenyloxolan-2-one
CID 12036236
(5S)-5-(4-fluorophenyl)oxolan-2-one
CID 7058070
5-(3-Fluorophenyl) dihydrofuran-2(3h)-one
CID 103689363
3-Benzyl-5-phenyloxolan-2-one
CID 346518
4-(Methylthio)benzoic acid, 2,6-difluoro-alpha-methylbenzyl ester
CID 91724923
Ethyl 2-fluoro-2-phenyl-2-phenylsulfanylacetate
CID 14529841
4-benzyl-3-fluoro-2-phenyl-2H-furan-5-one
CID 44605459
(3R,4R,5S)-3-(4-fluorophenyl)sulfanyl-4-hydroxy-5-phenyloxolan-2-one
CID 46930651

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-3-fluoro-5-phenyl-3-phenylsulfanyloxolan-2-one?
The IUPAC name of (3S,5R)-3-fluoro-5-phenyl-3-phenylsulfanyloxolan-2-one (CID 11748209) is (3S,5R)-3-fluoro-5-phenyl-3-phenylsulfanyloxolan-2-one.
What is the SMILES notation for (3S,5R)-3-fluoro-5-phenyl-3-phenylsulfanyloxolan-2-one?
The canonical SMILES for (3S,5R)-3-fluoro-5-phenyl-3-phenylsulfanyloxolan-2-one is O=C1O[C@@H](c2ccccc2)C[C@]1(F)Sc1ccccc1.
What is the InChIKey of (3S,5R)-3-fluoro-5-phenyl-3-phenylsulfanyloxolan-2-one?
The InChIKey is IDWCXMNZQWOAPT-ZBFHGGJFSA-N. The full InChI is InChI=1S/C16H13FO2S/c17-16(20-13-9-5-2-6-10-13)11-14(19-15(16)18)12-7-3-1-4-8-12/h1-10,14H,11H2/t14-,16+/m1/s1.
What are the key properties of (3S,5R)-3-fluoro-5-phenyl-3-phenylsulfanyloxolan-2-one?
(3S,5R)-3-fluoro-5-phenyl-3-phenylsulfanyloxolan-2-one has a molecular weight of 288.34 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-3-fluoro-5-phenyl-3-phenylsulfanyloxolan-2-one is sourced from PubChem (CID 11748209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).