3-[(3-chloro-2-fluorophenyl)methylsulfonyl]oxolane

C11H12ClFO3S — CID 166276247

IUPAC3-[(3-chloro-2-fluorophenyl)methylsulfonyl]oxolane
SMILESO=S(=O)(Cc1cccc(Cl)c1F)C1CCOC1
InChIInChI=1S/C11H12ClFO3S/c12-10-3-1-2-8(11(10)13)7-17(14,15)9-4-5-16-6-9/h1-3,9H,4-7H2
InChIKeyZJIMFYLKERGWKU-UHFFFAOYSA-N
MW278.73 g/mol
LogP2.18
Rot. Bonds3

About 3-[(3-chloro-2-fluorophenyl)methylsulfonyl]oxolane

3-[(3-chloro-2-fluorophenyl)methylsulfonyl]oxolane (PubChem CID 166276247) has the molecular formula C11H12ClFO3S and a molecular weight of 278.73 g/mol. Its IUPAC name is 3-[(3-chloro-2-fluorophenyl)methylsulfonyl]oxolane.

Molecular Properties

Compound Name3-[(3-chloro-2-fluorophenyl)methylsulfonyl]oxolane
PubChem CID166276247
Molecular FormulaC11H12ClFO3S
Molecular Weight278.73 g/mol
Exact Mass278.02
IUPAC Name3-[(3-chloro-2-fluorophenyl)methylsulfonyl]oxolane
SMILESO=S(=O)(Cc1cccc(Cl)c1F)C1CCOC1
InChIInChI=1S/C11H12ClFO3S/c12-10-3-1-2-8(11(10)13)7-17(14,15)9-4-5-16-6-9/h1-3,9H,4-7H2
InChIKeyZJIMFYLKERGWKU-UHFFFAOYSA-N
XLogP2.18
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.73
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-2-fluorophenyl)methylsulfonyl]oxolane?
The IUPAC name of 3-[(3-chloro-2-fluorophenyl)methylsulfonyl]oxolane (CID 166276247) is 3-[(3-chloro-2-fluorophenyl)methylsulfonyl]oxolane.
What is the SMILES notation for 3-[(3-chloro-2-fluorophenyl)methylsulfonyl]oxolane?
The canonical SMILES for 3-[(3-chloro-2-fluorophenyl)methylsulfonyl]oxolane is O=S(=O)(Cc1cccc(Cl)c1F)C1CCOC1.
What is the InChIKey of 3-[(3-chloro-2-fluorophenyl)methylsulfonyl]oxolane?
The InChIKey is ZJIMFYLKERGWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFO3S/c12-10-3-1-2-8(11(10)13)7-17(14,15)9-4-5-16-6-9/h1-3,9H,4-7H2.
What are the key properties of 3-[(3-chloro-2-fluorophenyl)methylsulfonyl]oxolane?
3-[(3-chloro-2-fluorophenyl)methylsulfonyl]oxolane has a molecular weight of 278.73 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-2-fluorophenyl)methylsulfonyl]oxolane is sourced from PubChem (CID 166276247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).