4-fluoro-4-phenylsulfanyl-1,3-dioxolan-2-one

C9H7FO3S — CID 11367875

IUPAC4-fluoro-4-phenylsulfanyl-1,3-dioxolan-2-one
SMILESO=C1OCC(F)(Sc2ccccc2)O1
InChIInChI=1S/C9H7FO3S/c10-9(6-12-8(11)13-9)14-7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyVBKGGWQQPLEBOG-UHFFFAOYSA-N
MW214.22 g/mol
LogP2.57
Rot. Bonds2

About 4-fluoro-4-phenylsulfanyl-1,3-dioxolan-2-one

4-fluoro-4-phenylsulfanyl-1,3-dioxolan-2-one (PubChem CID 11367875) has the molecular formula C9H7FO3S and a molecular weight of 214.22 g/mol. Its IUPAC name is 4-fluoro-4-phenylsulfanyl-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-fluoro-4-phenylsulfanyl-1,3-dioxolan-2-one
PubChem CID11367875
Molecular FormulaC9H7FO3S
Molecular Weight214.22 g/mol
Exact Mass214.01
IUPAC Name4-fluoro-4-phenylsulfanyl-1,3-dioxolan-2-one
SMILESO=C1OCC(F)(Sc2ccccc2)O1
InChIInChI=1S/C9H7FO3S/c10-9(6-12-8(11)13-9)14-7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyVBKGGWQQPLEBOG-UHFFFAOYSA-N
XLogP2.57
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 52.57
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-[Fluoro(phenylsulfanyl)methyl]-1,3-dioxolan-2-one
CID 11276240
4-(Phenylthiodifluoromethyl)-1,3-dioxolane-2-one
CID 11379595
Vxrawfhajvobkr-uhfffaoysa-
CID 15254405
4-Phenylthiomethyl-1,3-dioxolan-2-one
CID 11195172
4-Phenylsulfanyl-[1,3]dioxolan-2-one
CID 11287057
4-(4-Fluorophenyl)thiomethyl-1,3-dioxol-2-one
CID 14275575
4-(4-Chlorophenyl)sulfanyl-4-fluoro-1,3-dioxolan-2-one
CID 85778562
4-[4-(Fluoromethyl)phenyl]sulfanyl-1,3-dioxolan-2-one
CID 85808575
4-Fluoro-4-(4-methylphenyl)sulfanyl-1,3-dioxolan-2-one
CID 85808579
4-(4-Bromophenyl)sulfanyl-4-fluoro-1,3-dioxolan-2-one
CID 85808580
4-[Difluoro(phenylsulfonyl)methyl]-1,3-dioxolane-2-one
CID 101104370

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-phenylsulfanyl-1,3-dioxolan-2-one?
The IUPAC name of 4-fluoro-4-phenylsulfanyl-1,3-dioxolan-2-one (CID 11367875) is 4-fluoro-4-phenylsulfanyl-1,3-dioxolan-2-one.
What is the SMILES notation for 4-fluoro-4-phenylsulfanyl-1,3-dioxolan-2-one?
The canonical SMILES for 4-fluoro-4-phenylsulfanyl-1,3-dioxolan-2-one is O=C1OCC(F)(Sc2ccccc2)O1.
What is the InChIKey of 4-fluoro-4-phenylsulfanyl-1,3-dioxolan-2-one?
The InChIKey is VBKGGWQQPLEBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FO3S/c10-9(6-12-8(11)13-9)14-7-4-2-1-3-5-7/h1-5H,6H2.
What are the key properties of 4-fluoro-4-phenylsulfanyl-1,3-dioxolan-2-one?
4-fluoro-4-phenylsulfanyl-1,3-dioxolan-2-one has a molecular weight of 214.22 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-phenylsulfanyl-1,3-dioxolan-2-one is sourced from PubChem (CID 11367875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).