3-(3,4-difluorophenyl)-5-methylidene-2-(4-methylsulfonylphenyl)oxolane

C18H16F2O3S — CID 89342878

IUPAC3-(3,4-difluorophenyl)-5-methylidene-2-(4-methylsulfonylphenyl)oxolane
SMILESC=C1CC(c2ccc(F)c(F)c2)C(c2ccc(S(C)(=O)=O)cc2)O1
InChIInChI=1S/C18H16F2O3S/c1-11-9-15(13-5-8-16(19)17(20)10-13)18(23-11)12-3-6-14(7-4-12)24(2,21)22/h3-8,10,15,18H,1,9H2,2H3
InChIKeyJVHXVRPXWJARSL-UHFFFAOYSA-N
MW350.39 g/mol
LogP4.13
Rot. Bonds3

About 3-(3,4-difluorophenyl)-5-methylidene-2-(4-methylsulfonylphenyl)oxolane

3-(3,4-difluorophenyl)-5-methylidene-2-(4-methylsulfonylphenyl)oxolane (PubChem CID 89342878) has the molecular formula C18H16F2O3S and a molecular weight of 350.39 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-5-methylidene-2-(4-methylsulfonylphenyl)oxolane.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-5-methylidene-2-(4-methylsulfonylphenyl)oxolane
PubChem CID89342878
Molecular FormulaC18H16F2O3S
Molecular Weight350.39 g/mol
Exact Mass350.08
IUPAC Name3-(3,4-difluorophenyl)-5-methylidene-2-(4-methylsulfonylphenyl)oxolane
SMILESC=C1CC(c2ccc(F)c(F)c2)C(c2ccc(S(C)(=O)=O)cc2)O1
InChIInChI=1S/C18H16F2O3S/c1-11-9-15(13-5-8-16(19)17(20)10-13)18(23-11)12-3-6-14(7-4-12)24(2,21)22/h3-8,10,15,18H,1,9H2,2H3
InChIKeyJVHXVRPXWJARSL-UHFFFAOYSA-N
XLogP4.13
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-5-methylidene-2-(4-methylsulfonylphenyl)oxolane?
The IUPAC name of 3-(3,4-difluorophenyl)-5-methylidene-2-(4-methylsulfonylphenyl)oxolane (CID 89342878) is 3-(3,4-difluorophenyl)-5-methylidene-2-(4-methylsulfonylphenyl)oxolane.
What is the SMILES notation for 3-(3,4-difluorophenyl)-5-methylidene-2-(4-methylsulfonylphenyl)oxolane?
The canonical SMILES for 3-(3,4-difluorophenyl)-5-methylidene-2-(4-methylsulfonylphenyl)oxolane is C=C1CC(c2ccc(F)c(F)c2)C(c2ccc(S(C)(=O)=O)cc2)O1.
What is the InChIKey of 3-(3,4-difluorophenyl)-5-methylidene-2-(4-methylsulfonylphenyl)oxolane?
The InChIKey is JVHXVRPXWJARSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2O3S/c1-11-9-15(13-5-8-16(19)17(20)10-13)18(23-11)12-3-6-14(7-4-12)24(2,21)22/h3-8,10,15,18H,1,9H2,2H3.
What are the key properties of 3-(3,4-difluorophenyl)-5-methylidene-2-(4-methylsulfonylphenyl)oxolane?
3-(3,4-difluorophenyl)-5-methylidene-2-(4-methylsulfonylphenyl)oxolane has a molecular weight of 350.39 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)-5-methylidene-2-(4-methylsulfonylphenyl)oxolane is sourced from PubChem (CID 89342878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).