2-(4-fluorophenyl)-2-methyl-5-[(E)-2-thiophen-3-ylethenyl]furan-3-one

C17H13FO2S — CID 15086707

IUPAC2-(4-fluorophenyl)-2-methyl-5-[(E)-2-thiophen-3-ylethenyl]furan-3-one
SMILESCC1(c2ccc(F)cc2)OC(/C=C/c2ccsc2)=CC1=O
InChIInChI=1S/C17H13FO2S/c1-17(13-3-5-14(18)6-4-13)16(19)10-15(20-17)7-2-12-8-9-21-11-12/h2-11H,1H3/b7-2+
InChIKeyBSTXZYFOVKFYGC-FARCUNLSSA-N
MW300.35 g/mol
LogP4.30
Rot. Bonds3

About 2-(4-fluorophenyl)-2-methyl-5-[(E)-2-thiophen-3-ylethenyl]furan-3-one

2-(4-fluorophenyl)-2-methyl-5-[(E)-2-thiophen-3-ylethenyl]furan-3-one (PubChem CID 15086707) has the molecular formula C17H13FO2S and a molecular weight of 300.35 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2-methyl-5-[(E)-2-thiophen-3-ylethenyl]furan-3-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2-methyl-5-[(E)-2-thiophen-3-ylethenyl]furan-3-one
PubChem CID15086707
Molecular FormulaC17H13FO2S
Molecular Weight300.35 g/mol
Exact Mass300.06
IUPAC Name2-(4-fluorophenyl)-2-methyl-5-[(E)-2-thiophen-3-ylethenyl]furan-3-one
SMILESCC1(c2ccc(F)cc2)OC(/C=C/c2ccsc2)=CC1=O
InChIInChI=1S/C17H13FO2S/c1-17(13-3-5-14(18)6-4-13)16(19)10-15(20-17)7-2-12-8-9-21-11-12/h2-11H,1H3/b7-2+
InChIKeyBSTXZYFOVKFYGC-FARCUNLSSA-N
XLogP4.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2-methyl-5-[(E)-2-thiophen-3-ylethenyl]furan-3-one?
The IUPAC name of 2-(4-fluorophenyl)-2-methyl-5-[(E)-2-thiophen-3-ylethenyl]furan-3-one (CID 15086707) is 2-(4-fluorophenyl)-2-methyl-5-[(E)-2-thiophen-3-ylethenyl]furan-3-one.
What is the SMILES notation for 2-(4-fluorophenyl)-2-methyl-5-[(E)-2-thiophen-3-ylethenyl]furan-3-one?
The canonical SMILES for 2-(4-fluorophenyl)-2-methyl-5-[(E)-2-thiophen-3-ylethenyl]furan-3-one is CC1(c2ccc(F)cc2)OC(/C=C/c2ccsc2)=CC1=O.
What is the InChIKey of 2-(4-fluorophenyl)-2-methyl-5-[(E)-2-thiophen-3-ylethenyl]furan-3-one?
The InChIKey is BSTXZYFOVKFYGC-FARCUNLSSA-N. The full InChI is InChI=1S/C17H13FO2S/c1-17(13-3-5-14(18)6-4-13)16(19)10-15(20-17)7-2-12-8-9-21-11-12/h2-11H,1H3/b7-2+.
What are the key properties of 2-(4-fluorophenyl)-2-methyl-5-[(E)-2-thiophen-3-ylethenyl]furan-3-one?
2-(4-fluorophenyl)-2-methyl-5-[(E)-2-thiophen-3-ylethenyl]furan-3-one has a molecular weight of 300.35 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2-methyl-5-[(E)-2-thiophen-3-ylethenyl]furan-3-one is sourced from PubChem (CID 15086707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).