(3Z)-3-[(2,4-difluorophenyl)-(4-methylsulfonylphenyl)methylidene]oxolane

C18H16F2O3S — CID 140993499

IUPAC(3Z)-3-[(2,4-difluorophenyl)-(4-methylsulfonylphenyl)methylidene]oxolane
SMILESCS(=O)(=O)c1ccc(/C(=C2\CCOC2)c2ccc(F)cc2F)cc1
InChIInChI=1S/C18H16F2O3S/c1-24(21,22)15-5-2-12(3-6-15)18(13-8-9-23-11-13)16-7-4-14(19)10-17(16)20/h2-7,10H,8-9,11H2,1H3/b18-13-
InChIKeyFJIVSQXBSFCPMI-AQTBWJFISA-N
MW350.39 g/mol
LogP3.59
Rot. Bonds3

About (3Z)-3-[(2,4-difluorophenyl)-(4-methylsulfonylphenyl)methylidene]oxolane

(3Z)-3-[(2,4-difluorophenyl)-(4-methylsulfonylphenyl)methylidene]oxolane (PubChem CID 140993499) has the molecular formula C18H16F2O3S and a molecular weight of 350.39 g/mol. Its IUPAC name is (3Z)-3-[(2,4-difluorophenyl)-(4-methylsulfonylphenyl)methylidene]oxolane.

Molecular Properties

Compound Name(3Z)-3-[(2,4-difluorophenyl)-(4-methylsulfonylphenyl)methylidene]oxolane
PubChem CID140993499
Molecular FormulaC18H16F2O3S
Molecular Weight350.39 g/mol
Exact Mass350.08
IUPAC Name(3Z)-3-[(2,4-difluorophenyl)-(4-methylsulfonylphenyl)methylidene]oxolane
SMILESCS(=O)(=O)c1ccc(/C(=C2\CCOC2)c2ccc(F)cc2F)cc1
InChIInChI=1S/C18H16F2O3S/c1-24(21,22)15-5-2-12(3-6-15)18(13-8-9-23-11-13)16-7-4-14(19)10-17(16)20/h2-7,10H,8-9,11H2,1H3/b18-13-
InChIKeyFJIVSQXBSFCPMI-AQTBWJFISA-N
XLogP3.59
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 ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3Z)-3-[(2,4-difluorophenyl)-(4-methylsulfonylphenyl)methylidene]oxolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

SC-57666
CID 443373
1-[4,4-Di(fluoromethyl)-2-(4-methylsulfonylphenyl)-1-cyclopentenyl]-4-fluorobenzene
CID 10339727
1,2-Difluoro-4-[2-(4-methanesulfonyl-phenyl)-cyclopent-1-enyl]-benzene
CID 10664448
1-Methoxymethyl-4-[2-(4-methylsulfonylphenyl)-1-cyclopentenyl]benzene
CID 10405126
1,2,3-Trifluoro-5-[2-(4-methanesulfonyl-phenyl)-cyclopent-1-enyl]-benzene
CID 10641720
(2R,3R,5R)-5-methyl-3-(4-methylphenyl)sulfonyl-2-[4-(trifluoromethyl)phenyl]oxolane
CID 139047866
(3R)-5-(benzenesulfonyl)-4-(4-fluorophenyl)-3-[2-(trifluoromethylsulfanyl)propan-2-yl]-3,6-dihydro-2H-pyran
CID 168345850
1-[(E)-3-methoxy-2-phenylselanylprop-1-enyl]sulfonyl-4-methylbenzene
CID 11047164
4-(4-Methylsulfonylphenyl)-3-phenyl-5h-furan
CID 101000336
(E)-3-[1-(4-fluorophenyl)-1-(4-methanesulfonylphenyl)methylidene]dihydrofuran-2-one
CID 9884605
1,3-Difluoro-5-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]benzene
CID 10246276
1,2-Difluoro-3-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]benzene
CID 10268575

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(2,4-difluorophenyl)-(4-methylsulfonylphenyl)methylidene]oxolane?
The IUPAC name of (3Z)-3-[(2,4-difluorophenyl)-(4-methylsulfonylphenyl)methylidene]oxolane (CID 140993499) is (3Z)-3-[(2,4-difluorophenyl)-(4-methylsulfonylphenyl)methylidene]oxolane.
What is the SMILES notation for (3Z)-3-[(2,4-difluorophenyl)-(4-methylsulfonylphenyl)methylidene]oxolane?
The canonical SMILES for (3Z)-3-[(2,4-difluorophenyl)-(4-methylsulfonylphenyl)methylidene]oxolane is CS(=O)(=O)c1ccc(/C(=C2\CCOC2)c2ccc(F)cc2F)cc1.
What is the InChIKey of (3Z)-3-[(2,4-difluorophenyl)-(4-methylsulfonylphenyl)methylidene]oxolane?
The InChIKey is FJIVSQXBSFCPMI-AQTBWJFISA-N. The full InChI is InChI=1S/C18H16F2O3S/c1-24(21,22)15-5-2-12(3-6-15)18(13-8-9-23-11-13)16-7-4-14(19)10-17(16)20/h2-7,10H,8-9,11H2,1H3/b18-13-.
What are the key properties of (3Z)-3-[(2,4-difluorophenyl)-(4-methylsulfonylphenyl)methylidene]oxolane?
(3Z)-3-[(2,4-difluorophenyl)-(4-methylsulfonylphenyl)methylidene]oxolane has a molecular weight of 350.39 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(2,4-difluorophenyl)-(4-methylsulfonylphenyl)methylidene]oxolane is sourced from PubChem (CID 140993499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).