4-[(4-fluorophenyl)sulfanylmethyl]-1,3-dioxol-2-one

C10H7FO3S — CID 14275575

IUPAC4-[(4-fluorophenyl)sulfanylmethyl]-1,3-dioxol-2-one
SMILESO=c1occ(CSc2ccc(F)cc2)o1
InChIInChI=1S/C10H7FO3S/c11-7-1-3-9(4-2-7)15-6-8-5-13-10(12)14-8/h1-5H,6H2
InChIKeyCMQGQDNEYFJMHG-UHFFFAOYSA-N
MW226.23 g/mol
LogP2.66
Rot. Bonds3

About 4-[(4-fluorophenyl)sulfanylmethyl]-1,3-dioxol-2-one

4-[(4-fluorophenyl)sulfanylmethyl]-1,3-dioxol-2-one (PubChem CID 14275575) has the molecular formula C10H7FO3S and a molecular weight of 226.23 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)sulfanylmethyl]-1,3-dioxol-2-one.

Molecular Properties

Compound Name4-[(4-fluorophenyl)sulfanylmethyl]-1,3-dioxol-2-one
PubChem CID14275575
Molecular FormulaC10H7FO3S
Molecular Weight226.23 g/mol
Exact Mass226.01
IUPAC Name4-[(4-fluorophenyl)sulfanylmethyl]-1,3-dioxol-2-one
SMILESO=c1occ(CSc2ccc(F)cc2)o1
InChIInChI=1S/C10H7FO3S/c11-7-1-3-9(4-2-7)15-6-8-5-13-10(12)14-8/h1-5H,6H2
InChIKeyCMQGQDNEYFJMHG-UHFFFAOYSA-N
XLogP2.66
TPSA43.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)sulfanylmethyl]-1,3-dioxol-2-one?
The IUPAC name of 4-[(4-fluorophenyl)sulfanylmethyl]-1,3-dioxol-2-one (CID 14275575) is 4-[(4-fluorophenyl)sulfanylmethyl]-1,3-dioxol-2-one.
What is the SMILES notation for 4-[(4-fluorophenyl)sulfanylmethyl]-1,3-dioxol-2-one?
The canonical SMILES for 4-[(4-fluorophenyl)sulfanylmethyl]-1,3-dioxol-2-one is O=c1occ(CSc2ccc(F)cc2)o1.
What is the InChIKey of 4-[(4-fluorophenyl)sulfanylmethyl]-1,3-dioxol-2-one?
The InChIKey is CMQGQDNEYFJMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FO3S/c11-7-1-3-9(4-2-7)15-6-8-5-13-10(12)14-8/h1-5H,6H2.
What are the key properties of 4-[(4-fluorophenyl)sulfanylmethyl]-1,3-dioxol-2-one?
4-[(4-fluorophenyl)sulfanylmethyl]-1,3-dioxol-2-one has a molecular weight of 226.23 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)sulfanylmethyl]-1,3-dioxol-2-one is sourced from PubChem (CID 14275575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).