4-[fluoro(phenylsulfanyl)methyl]-1,3-dioxolan-2-one

C10H9FO3S — CID 11276240

IUPAC4-[fluoro(phenylsulfanyl)methyl]-1,3-dioxolan-2-one
SMILESO=C1OCC(C(F)Sc2ccccc2)O1
InChIInChI=1S/C10H9FO3S/c11-9(8-6-13-10(12)14-8)15-7-4-2-1-3-5-7/h1-5,8-9H,6H2
InChIKeyQLKVDPLXDLPBIE-UHFFFAOYSA-N
MW228.24 g/mol
LogP2.61
Rot. Bonds3

About 4-[fluoro(phenylsulfanyl)methyl]-1,3-dioxolan-2-one

4-[fluoro(phenylsulfanyl)methyl]-1,3-dioxolan-2-one (PubChem CID 11276240) has the molecular formula C10H9FO3S and a molecular weight of 228.24 g/mol. Its IUPAC name is 4-[fluoro(phenylsulfanyl)methyl]-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-[fluoro(phenylsulfanyl)methyl]-1,3-dioxolan-2-one
PubChem CID11276240
Molecular FormulaC10H9FO3S
Molecular Weight228.24 g/mol
Exact Mass228.03
IUPAC Name4-[fluoro(phenylsulfanyl)methyl]-1,3-dioxolan-2-one
SMILESO=C1OCC(C(F)Sc2ccccc2)O1
InChIInChI=1S/C10H9FO3S/c11-9(8-6-13-10(12)14-8)15-7-4-2-1-3-5-7/h1-5,8-9H,6H2
InChIKeyQLKVDPLXDLPBIE-UHFFFAOYSA-N
XLogP2.61
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-Dimethyl-4-(phenylsulfanylmethyl)-1,3-dioxolane
CID 85353102
4-(4-Fluorophenyl)thiomethyl-5-methyl-1,3-dioxol-2-one
CID 194926
4-(Phenylthiodifluoromethyl)-1,3-dioxolane-2-one
CID 11379595
(1-Fluoro-3-phenylsulfanylpropan-2-yl) acetate
CID 13791139
2-[2-(Benzenesulfonyl)-2-fluoroethyl]-1,3-dioxolane
CID 14593286
Vxrawfhajvobkr-uhfffaoysa-
CID 15254405
4-Phenylthiomethyl-1,3-dioxolan-2-one
CID 11195172
4-Phenylsulfanyl-[1,3]dioxolan-2-one
CID 11287057
4-Fluoro-4-phenylsulfanyl-1,3-dioxolan-2-one
CID 11367875
4-(4-Fluorophenyl)thiomethyl-1,3-dioxol-2-one
CID 14275575
[2-[(2-Fluorophenyl)sulfanylmethyl]oxolan-3-yl] acetate
CID 17906745
Methyl (1-phenylthiolan-1-ium-3-yl) carbonate;trifluoromethanesulfonate
CID 18350147

Frequently Asked Questions

What is the IUPAC name of 4-[fluoro(phenylsulfanyl)methyl]-1,3-dioxolan-2-one?
The IUPAC name of 4-[fluoro(phenylsulfanyl)methyl]-1,3-dioxolan-2-one (CID 11276240) is 4-[fluoro(phenylsulfanyl)methyl]-1,3-dioxolan-2-one.
What is the SMILES notation for 4-[fluoro(phenylsulfanyl)methyl]-1,3-dioxolan-2-one?
The canonical SMILES for 4-[fluoro(phenylsulfanyl)methyl]-1,3-dioxolan-2-one is O=C1OCC(C(F)Sc2ccccc2)O1.
What is the InChIKey of 4-[fluoro(phenylsulfanyl)methyl]-1,3-dioxolan-2-one?
The InChIKey is QLKVDPLXDLPBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FO3S/c11-9(8-6-13-10(12)14-8)15-7-4-2-1-3-5-7/h1-5,8-9H,6H2.
What are the key properties of 4-[fluoro(phenylsulfanyl)methyl]-1,3-dioxolan-2-one?
4-[fluoro(phenylsulfanyl)methyl]-1,3-dioxolan-2-one has a molecular weight of 228.24 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[fluoro(phenylsulfanyl)methyl]-1,3-dioxolan-2-one is sourced from PubChem (CID 11276240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).