3-(5-chlorothiophen-2-yl)-4-(3-fluorophenyl)-2H-furan-5-one

C14H8ClFO2S — CID 142465137

IUPAC3-(5-chlorothiophen-2-yl)-4-(3-fluorophenyl)-2H-furan-5-one
SMILESO=C1OCC(c2ccc(Cl)s2)=C1c1cccc(F)c1
InChIInChI=1S/C14H8ClFO2S/c15-12-5-4-11(19-12)10-7-18-14(17)13(10)8-2-1-3-9(16)6-8/h1-6H,7H2
InChIKeyQHYLJXKYCAYNPP-UHFFFAOYSA-N
MW294.73 g/mol
LogP4.01
Rot. Bonds2

About 3-(5-chlorothiophen-2-yl)-4-(3-fluorophenyl)-2H-furan-5-one

3-(5-chlorothiophen-2-yl)-4-(3-fluorophenyl)-2H-furan-5-one (PubChem CID 142465137) has the molecular formula C14H8ClFO2S and a molecular weight of 294.73 g/mol. Its IUPAC name is 3-(5-chlorothiophen-2-yl)-4-(3-fluorophenyl)-2H-furan-5-one.

Molecular Properties

Compound Name3-(5-chlorothiophen-2-yl)-4-(3-fluorophenyl)-2H-furan-5-one
PubChem CID142465137
Molecular FormulaC14H8ClFO2S
Molecular Weight294.73 g/mol
Exact Mass293.99
IUPAC Name3-(5-chlorothiophen-2-yl)-4-(3-fluorophenyl)-2H-furan-5-one
SMILESO=C1OCC(c2ccc(Cl)s2)=C1c1cccc(F)c1
InChIInChI=1S/C14H8ClFO2S/c15-12-5-4-11(19-12)10-7-18-14(17)13(10)8-2-1-3-9(16)6-8/h1-6H,7H2
InChIKeyQHYLJXKYCAYNPP-UHFFFAOYSA-N
XLogP4.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.73
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(5-chlorothiophen-2-yl)-4-(3-fluorophenyl)-2H-furan-5-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorothiophen-2-yl)-4-(3-fluorophenyl)-2H-furan-5-one?
The IUPAC name of 3-(5-chlorothiophen-2-yl)-4-(3-fluorophenyl)-2H-furan-5-one (CID 142465137) is 3-(5-chlorothiophen-2-yl)-4-(3-fluorophenyl)-2H-furan-5-one.
What is the SMILES notation for 3-(5-chlorothiophen-2-yl)-4-(3-fluorophenyl)-2H-furan-5-one?
The canonical SMILES for 3-(5-chlorothiophen-2-yl)-4-(3-fluorophenyl)-2H-furan-5-one is O=C1OCC(c2ccc(Cl)s2)=C1c1cccc(F)c1.
What is the InChIKey of 3-(5-chlorothiophen-2-yl)-4-(3-fluorophenyl)-2H-furan-5-one?
The InChIKey is QHYLJXKYCAYNPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClFO2S/c15-12-5-4-11(19-12)10-7-18-14(17)13(10)8-2-1-3-9(16)6-8/h1-6H,7H2.
What are the key properties of 3-(5-chlorothiophen-2-yl)-4-(3-fluorophenyl)-2H-furan-5-one?
3-(5-chlorothiophen-2-yl)-4-(3-fluorophenyl)-2H-furan-5-one has a molecular weight of 294.73 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorothiophen-2-yl)-4-(3-fluorophenyl)-2H-furan-5-one is sourced from PubChem (CID 142465137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).