2-(4-fluorophenyl)sulfonyl-2-methyloxolane

C11H13FO3S — CID 22070978

IUPAC2-(4-fluorophenyl)sulfonyl-2-methyloxolane
SMILESCC1(S(=O)(=O)c2ccc(F)cc2)CCCO1
InChIInChI=1S/C11H13FO3S/c1-11(7-2-8-15-11)16(13,14)10-5-3-9(12)4-6-10/h3-6H,2,7-8H2,1H3
InChIKeyBCXQMVORKUQLIE-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.13
Rot. Bonds2

About 2-(4-fluorophenyl)sulfonyl-2-methyloxolane

2-(4-fluorophenyl)sulfonyl-2-methyloxolane (PubChem CID 22070978) has the molecular formula C11H13FO3S and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfonyl-2-methyloxolane.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfonyl-2-methyloxolane
PubChem CID22070978
Molecular FormulaC11H13FO3S
Molecular Weight244.29 g/mol
Exact Mass244.06
IUPAC Name2-(4-fluorophenyl)sulfonyl-2-methyloxolane
SMILESCC1(S(=O)(=O)c2ccc(F)cc2)CCCO1
InChIInChI=1S/C11H13FO3S/c1-11(7-2-8-15-11)16(13,14)10-5-3-9(12)4-6-10/h3-6H,2,7-8H2,1H3
InChIKeyBCXQMVORKUQLIE-UHFFFAOYSA-N
XLogP2.13
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfonyl-2-methyloxolane?
The IUPAC name of 2-(4-fluorophenyl)sulfonyl-2-methyloxolane (CID 22070978) is 2-(4-fluorophenyl)sulfonyl-2-methyloxolane.
What is the SMILES notation for 2-(4-fluorophenyl)sulfonyl-2-methyloxolane?
The canonical SMILES for 2-(4-fluorophenyl)sulfonyl-2-methyloxolane is CC1(S(=O)(=O)c2ccc(F)cc2)CCCO1.
What is the InChIKey of 2-(4-fluorophenyl)sulfonyl-2-methyloxolane?
The InChIKey is BCXQMVORKUQLIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO3S/c1-11(7-2-8-15-11)16(13,14)10-5-3-9(12)4-6-10/h3-6H,2,7-8H2,1H3.
What are the key properties of 2-(4-fluorophenyl)sulfonyl-2-methyloxolane?
2-(4-fluorophenyl)sulfonyl-2-methyloxolane has a molecular weight of 244.29 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfonyl-2-methyloxolane is sourced from PubChem (CID 22070978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).