2-(4-fluorophenyl)sulfanyl-2-methyloxolane

C11H13FOS — CID 22070997

IUPAC2-(4-fluorophenyl)sulfanyl-2-methyloxolane
SMILESCC1(Sc2ccc(F)cc2)CCCO1
InChIInChI=1S/C11H13FOS/c1-11(7-2-8-13-11)14-10-5-3-9(12)4-6-10/h3-6H,2,7-8H2,1H3
InChIKeyDJGJLFJDVGBXQB-UHFFFAOYSA-N
MW212.29 g/mol
LogP3.44
Rot. Bonds2

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

2-(4-fluorophenyl)sulfanyl-2-methyloxolane (PubChem CID 22070997) has the molecular formula C11H13FOS and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-2-methyloxolane.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-2-methyloxolane
PubChem CID22070997
Molecular FormulaC11H13FOS
Molecular Weight212.29 g/mol
Exact Mass212.07
IUPAC Name2-(4-fluorophenyl)sulfanyl-2-methyloxolane
SMILESCC1(Sc2ccc(F)cc2)CCCO1
InChIInChI=1S/C11H13FOS/c1-11(7-2-8-13-11)14-10-5-3-9(12)4-6-10/h3-6H,2,7-8H2,1H3
InChIKeyDJGJLFJDVGBXQB-UHFFFAOYSA-N
XLogP3.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-2-methyloxolane?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-2-methyloxolane (CID 22070997) is 2-(4-fluorophenyl)sulfanyl-2-methyloxolane.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-2-methyloxolane?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-2-methyloxolane is CC1(Sc2ccc(F)cc2)CCCO1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-2-methyloxolane?
The InChIKey is DJGJLFJDVGBXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FOS/c1-11(7-2-8-13-11)14-10-5-3-9(12)4-6-10/h3-6H,2,7-8H2,1H3.
What are the key properties of 2-(4-fluorophenyl)sulfanyl-2-methyloxolane?
2-(4-fluorophenyl)sulfanyl-2-methyloxolane has a molecular weight of 212.29 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-2-methyloxolane is sourced from PubChem (CID 22070997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).