3-[(2-fluorophenyl)sulfonylmethyl]oxolane

C11H13FO3S — CID 62059725

IUPAC3-[(2-fluorophenyl)sulfonylmethyl]oxolane
SMILESO=S(=O)(CC1CCOC1)c1ccccc1F
InChIInChI=1S/C11H13FO3S/c12-10-3-1-2-4-11(10)16(13,14)8-9-5-6-15-7-9/h1-4,9H,5-8H2
InChIKeyLVPYJXOQSIHSMA-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.64
Rot. Bonds3

About 3-[(2-fluorophenyl)sulfonylmethyl]oxolane

3-[(2-fluorophenyl)sulfonylmethyl]oxolane (PubChem CID 62059725) has the molecular formula C11H13FO3S and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)sulfonylmethyl]oxolane.

Molecular Properties

Compound Name3-[(2-fluorophenyl)sulfonylmethyl]oxolane
PubChem CID62059725
Molecular FormulaC11H13FO3S
Molecular Weight244.29 g/mol
Exact Mass244.06
IUPAC Name3-[(2-fluorophenyl)sulfonylmethyl]oxolane
SMILESO=S(=O)(CC1CCOC1)c1ccccc1F
InChIInChI=1S/C11H13FO3S/c12-10-3-1-2-4-11(10)16(13,14)8-9-5-6-15-7-9/h1-4,9H,5-8H2
InChIKeyLVPYJXOQSIHSMA-UHFFFAOYSA-N
XLogP1.64
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)sulfonylmethyl]oxolane?
The IUPAC name of 3-[(2-fluorophenyl)sulfonylmethyl]oxolane (CID 62059725) is 3-[(2-fluorophenyl)sulfonylmethyl]oxolane.
What is the SMILES notation for 3-[(2-fluorophenyl)sulfonylmethyl]oxolane?
The canonical SMILES for 3-[(2-fluorophenyl)sulfonylmethyl]oxolane is O=S(=O)(CC1CCOC1)c1ccccc1F.
What is the InChIKey of 3-[(2-fluorophenyl)sulfonylmethyl]oxolane?
The InChIKey is LVPYJXOQSIHSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO3S/c12-10-3-1-2-4-11(10)16(13,14)8-9-5-6-15-7-9/h1-4,9H,5-8H2.
What are the key properties of 3-[(2-fluorophenyl)sulfonylmethyl]oxolane?
3-[(2-fluorophenyl)sulfonylmethyl]oxolane has a molecular weight of 244.29 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)sulfonylmethyl]oxolane is sourced from PubChem (CID 62059725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).