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

C14H9FO2S — CID 155005173

IUPAC3-(3-fluorophenyl)-4-thiophen-2-yl-2H-furan-5-one
SMILESO=C1OCC(c2cccc(F)c2)=C1c1cccs1
InChIInChI=1S/C14H9FO2S/c15-10-4-1-3-9(7-10)11-8-17-14(16)13(11)12-5-2-6-18-12/h1-7H,8H2
InChIKeySJNICMICJGWXSN-UHFFFAOYSA-N
MW260.29 g/mol
LogP3.35
Rot. Bonds2

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

3-(3-fluorophenyl)-4-thiophen-2-yl-2H-furan-5-one (PubChem CID 155005173) has the molecular formula C14H9FO2S and a molecular weight of 260.29 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-4-thiophen-2-yl-2H-furan-5-one.

Molecular Properties

Compound Name3-(3-fluorophenyl)-4-thiophen-2-yl-2H-furan-5-one
PubChem CID155005173
Molecular FormulaC14H9FO2S
Molecular Weight260.29 g/mol
Exact Mass260.03
IUPAC Name3-(3-fluorophenyl)-4-thiophen-2-yl-2H-furan-5-one
SMILESO=C1OCC(c2cccc(F)c2)=C1c1cccs1
InChIInChI=1S/C14H9FO2S/c15-10-4-1-3-9(7-10)11-8-17-14(16)13(11)12-5-2-6-18-12/h1-7H,8H2
InChIKeySJNICMICJGWXSN-UHFFFAOYSA-N
XLogP3.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-4-thiophen-2-yl-2H-furan-5-one?
The IUPAC name of 3-(3-fluorophenyl)-4-thiophen-2-yl-2H-furan-5-one (CID 155005173) is 3-(3-fluorophenyl)-4-thiophen-2-yl-2H-furan-5-one.
What is the SMILES notation for 3-(3-fluorophenyl)-4-thiophen-2-yl-2H-furan-5-one?
The canonical SMILES for 3-(3-fluorophenyl)-4-thiophen-2-yl-2H-furan-5-one is O=C1OCC(c2cccc(F)c2)=C1c1cccs1.
What is the InChIKey of 3-(3-fluorophenyl)-4-thiophen-2-yl-2H-furan-5-one?
The InChIKey is SJNICMICJGWXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FO2S/c15-10-4-1-3-9(7-10)11-8-17-14(16)13(11)12-5-2-6-18-12/h1-7H,8H2.
What are the key properties of 3-(3-fluorophenyl)-4-thiophen-2-yl-2H-furan-5-one?
3-(3-fluorophenyl)-4-thiophen-2-yl-2H-furan-5-one has a molecular weight of 260.29 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-4-thiophen-2-yl-2H-furan-5-one is sourced from PubChem (CID 155005173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).