2-[2-[(4-fluorophenyl)methylsulfonyl]ethenyl]furan

C13H11FO3S — CID 173246874

IUPAC2-[2-[(4-fluorophenyl)methylsulfonyl]ethenyl]furan
SMILESO=S(=O)(C=Cc1ccco1)Cc1ccc(F)cc1
InChIInChI=1S/C13H11FO3S/c14-12-5-3-11(4-6-12)10-18(15,16)9-7-13-2-1-8-17-13/h1-9H,10H2
InChIKeyAWEROXWYQPKASA-UHFFFAOYSA-N
MW266.29 g/mol
LogP3.00
Rot. Bonds4

About 2-[2-[(4-fluorophenyl)methylsulfonyl]ethenyl]furan

2-[2-[(4-fluorophenyl)methylsulfonyl]ethenyl]furan (PubChem CID 173246874) has the molecular formula C13H11FO3S and a molecular weight of 266.29 g/mol. Its IUPAC name is 2-[2-[(4-fluorophenyl)methylsulfonyl]ethenyl]furan.

Molecular Properties

Compound Name2-[2-[(4-fluorophenyl)methylsulfonyl]ethenyl]furan
PubChem CID173246874
Molecular FormulaC13H11FO3S
Molecular Weight266.29 g/mol
Exact Mass266.04
IUPAC Name2-[2-[(4-fluorophenyl)methylsulfonyl]ethenyl]furan
SMILESO=S(=O)(C=Cc1ccco1)Cc1ccc(F)cc1
InChIInChI=1S/C13H11FO3S/c14-12-5-3-11(4-6-12)10-18(15,16)9-7-13-2-1-8-17-13/h1-9H,10H2
InChIKeyAWEROXWYQPKASA-UHFFFAOYSA-N
XLogP3.00
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-fluorophenyl)methylsulfonyl]ethenyl]furan?
The IUPAC name of 2-[2-[(4-fluorophenyl)methylsulfonyl]ethenyl]furan (CID 173246874) is 2-[2-[(4-fluorophenyl)methylsulfonyl]ethenyl]furan.
What is the SMILES notation for 2-[2-[(4-fluorophenyl)methylsulfonyl]ethenyl]furan?
The canonical SMILES for 2-[2-[(4-fluorophenyl)methylsulfonyl]ethenyl]furan is O=S(=O)(C=Cc1ccco1)Cc1ccc(F)cc1.
What is the InChIKey of 2-[2-[(4-fluorophenyl)methylsulfonyl]ethenyl]furan?
The InChIKey is AWEROXWYQPKASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FO3S/c14-12-5-3-11(4-6-12)10-18(15,16)9-7-13-2-1-8-17-13/h1-9H,10H2.
What are the key properties of 2-[2-[(4-fluorophenyl)methylsulfonyl]ethenyl]furan?
2-[2-[(4-fluorophenyl)methylsulfonyl]ethenyl]furan has a molecular weight of 266.29 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-fluorophenyl)methylsulfonyl]ethenyl]furan is sourced from PubChem (CID 173246874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).