3-(4-chlorophenyl)sulfanyl-3-fluorooxolan-2-one

C10H8ClFO2S — CID 11322579

IUPAC3-(4-chlorophenyl)sulfanyl-3-fluorooxolan-2-one
SMILESO=C1OCCC1(F)Sc1ccc(Cl)cc1
InChIInChI=1S/C10H8ClFO2S/c11-7-1-3-8(4-2-7)15-10(12)5-6-14-9(10)13/h1-4H,5-6H2
InChIKeyAEBZBARTQWENKA-UHFFFAOYSA-N
MW246.69 g/mol
LogP3.04
Rot. Bonds2

About 3-(4-chlorophenyl)sulfanyl-3-fluorooxolan-2-one

3-(4-chlorophenyl)sulfanyl-3-fluorooxolan-2-one (PubChem CID 11322579) has the molecular formula C10H8ClFO2S and a molecular weight of 246.69 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfanyl-3-fluorooxolan-2-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfanyl-3-fluorooxolan-2-one
PubChem CID11322579
Molecular FormulaC10H8ClFO2S
Molecular Weight246.69 g/mol
Exact Mass245.99
IUPAC Name3-(4-chlorophenyl)sulfanyl-3-fluorooxolan-2-one
SMILESO=C1OCCC1(F)Sc1ccc(Cl)cc1
InChIInChI=1S/C10H8ClFO2S/c11-7-1-3-8(4-2-7)15-10(12)5-6-14-9(10)13/h1-4H,5-6H2
InChIKeyAEBZBARTQWENKA-UHFFFAOYSA-N
XLogP3.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.69
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfanyl-3-fluorooxolan-2-one?
The IUPAC name of 3-(4-chlorophenyl)sulfanyl-3-fluorooxolan-2-one (CID 11322579) is 3-(4-chlorophenyl)sulfanyl-3-fluorooxolan-2-one.
What is the SMILES notation for 3-(4-chlorophenyl)sulfanyl-3-fluorooxolan-2-one?
The canonical SMILES for 3-(4-chlorophenyl)sulfanyl-3-fluorooxolan-2-one is O=C1OCCC1(F)Sc1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)sulfanyl-3-fluorooxolan-2-one?
The InChIKey is AEBZBARTQWENKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFO2S/c11-7-1-3-8(4-2-7)15-10(12)5-6-14-9(10)13/h1-4H,5-6H2.
What are the key properties of 3-(4-chlorophenyl)sulfanyl-3-fluorooxolan-2-one?
3-(4-chlorophenyl)sulfanyl-3-fluorooxolan-2-one has a molecular weight of 246.69 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfanyl-3-fluorooxolan-2-one is sourced from PubChem (CID 11322579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).