(2S,4R)-4-fluoro-2-phenyl-1,3-oxathiolan-5-one

C9H7FO2S — CID 10750460

IUPAC(2S,4R)-4-fluoro-2-phenyl-1,3-oxathiolan-5-one
SMILESO=C1O[C@H](c2ccccc2)S[C@H]1F
InChIInChI=1S/C9H7FO2S/c10-7-8(11)12-9(13-7)6-4-2-1-3-5-6/h1-5,7,9H/t7-,9+/m1/s1
InChIKeyGTFDDGGGXXSTQU-APPZFPTMSA-N
MW198.22 g/mol
LogP2.27
Rot. Bonds1

About (2S,4R)-4-fluoro-2-phenyl-1,3-oxathiolan-5-one

(2S,4R)-4-fluoro-2-phenyl-1,3-oxathiolan-5-one (PubChem CID 10750460) has the molecular formula C9H7FO2S and a molecular weight of 198.22 g/mol. Its IUPAC name is (2S,4R)-4-fluoro-2-phenyl-1,3-oxathiolan-5-one.

Molecular Properties

Compound Name(2S,4R)-4-fluoro-2-phenyl-1,3-oxathiolan-5-one
PubChem CID10750460
Molecular FormulaC9H7FO2S
Molecular Weight198.22 g/mol
Exact Mass198.02
IUPAC Name(2S,4R)-4-fluoro-2-phenyl-1,3-oxathiolan-5-one
SMILESO=C1O[C@H](c2ccccc2)S[C@H]1F
InChIInChI=1S/C9H7FO2S/c10-7-8(11)12-9(13-7)6-4-2-1-3-5-6/h1-5,7,9H/t7-,9+/m1/s1
InChIKeyGTFDDGGGXXSTQU-APPZFPTMSA-N
XLogP2.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-2-phenyl-1,3-oxathiolan-5-one
CID 12581976
(3R,6S)-3,6-diphenyl-1,4-dioxane-2,5-dione
CID 101432934
(3R,6R)-3,6-diphenyl-1,4-dioxane-2,5-dione
CID 101432935
2-methyl-4-phenyl-1,3-oxathiolan-5-one
CID 12581977
1,4-diphenyl-1,3a,4,6a-tetrahydrofuro[3,4-c]furan-3,6-dione
CID 13310359
2,5-diphenyl-1,3-dioxane-4,6-dione
CID 10683306
2-methyl-5-phenyl-1,3-dioxolan-4-one
CID 18730132
2,4-diphenyl-1,3,5-oxathiazin-6-one
CID 134113894
5-phenyloxolan-2-one
CID 13884
(3R,4R,5S)-3,4-dimethyl-5-phenyloxolan-2-one
CID 101000241
2-(2-hydroxyphenyl)-4-methyl-1,3-oxathiolan-5-one
CID 139899543
4-phenyl-1,3,2-dioxathietane
CID 141391281

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-fluoro-2-phenyl-1,3-oxathiolan-5-one?
The IUPAC name of (2S,4R)-4-fluoro-2-phenyl-1,3-oxathiolan-5-one (CID 10750460) is (2S,4R)-4-fluoro-2-phenyl-1,3-oxathiolan-5-one.
What is the SMILES notation for (2S,4R)-4-fluoro-2-phenyl-1,3-oxathiolan-5-one?
The canonical SMILES for (2S,4R)-4-fluoro-2-phenyl-1,3-oxathiolan-5-one is O=C1O[C@H](c2ccccc2)S[C@H]1F.
What is the InChIKey of (2S,4R)-4-fluoro-2-phenyl-1,3-oxathiolan-5-one?
The InChIKey is GTFDDGGGXXSTQU-APPZFPTMSA-N. The full InChI is InChI=1S/C9H7FO2S/c10-7-8(11)12-9(13-7)6-4-2-1-3-5-6/h1-5,7,9H/t7-,9+/m1/s1.
What are the key properties of (2S,4R)-4-fluoro-2-phenyl-1,3-oxathiolan-5-one?
(2S,4R)-4-fluoro-2-phenyl-1,3-oxathiolan-5-one has a molecular weight of 198.22 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-fluoro-2-phenyl-1,3-oxathiolan-5-one is sourced from PubChem (CID 10750460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).