3-[2-[(4-fluorophenyl)methylsulfonyl]ethenyl]furan

C13H11FO3S — CID 173247017

IUPAC3-[2-[(4-fluorophenyl)methylsulfonyl]ethenyl]furan
SMILESO=S(=O)(C=Cc1ccoc1)Cc1ccc(F)cc1
InChIInChI=1S/C13H11FO3S/c14-13-3-1-12(2-4-13)10-18(15,16)8-6-11-5-7-17-9-11/h1-9H,10H2
InChIKeyFDLGFEHYQOICFA-UHFFFAOYSA-N
MW266.29 g/mol
LogP3.00
Rot. Bonds4

About 3-[2-[(4-fluorophenyl)methylsulfonyl]ethenyl]furan

3-[2-[(4-fluorophenyl)methylsulfonyl]ethenyl]furan (PubChem CID 173247017) has the molecular formula C13H11FO3S and a molecular weight of 266.29 g/mol. Its IUPAC name is 3-[2-[(4-fluorophenyl)methylsulfonyl]ethenyl]furan.

Molecular Properties

Compound Name3-[2-[(4-fluorophenyl)methylsulfonyl]ethenyl]furan
PubChem CID173247017
Molecular FormulaC13H11FO3S
Molecular Weight266.29 g/mol
Exact Mass266.04
IUPAC Name3-[2-[(4-fluorophenyl)methylsulfonyl]ethenyl]furan
SMILESO=S(=O)(C=Cc1ccoc1)Cc1ccc(F)cc1
InChIInChI=1S/C13H11FO3S/c14-13-3-1-12(2-4-13)10-18(15,16)8-6-11-5-7-17-9-11/h1-9H,10H2
InChIKeyFDLGFEHYQOICFA-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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Related Compounds

3-[2-[(4-chlorophenyl)methylsulfonyl]ethenyl]furan
CID 85054674
1,4-bis[[(E)-2-(4-fluorophenyl)ethenyl]sulfonylmethyl]benzene
CID 5388092
1-[[(E)-2-(4-fluorophenyl)ethenyl]sulfonylmethyl]-4-methylbenzene
CID 14087488
1-[2-(4-fluorophenyl)ethenylsulfonylmethyl]-4-methoxybenzene
CID 54452495
1,2-dichloro-4-[2-(4-fluorophenyl)ethenylsulfonylmethyl]benzene
CID 54262996
1,3,5-trifluoro-2-[2-[(4-methylphenyl)methylsulfonyl]ethenyl]benzene
CID 91462317
1,2,3,4,5-pentafluoro-6-[2-[(4-iodophenyl)methylsulfonyl]ethenyl]benzene
CID 85326572
2-chloro-4-fluoro-1-[2-(4-fluorophenyl)ethenylsulfonylmethyl]benzene
CID 173204022
1-bromo-4-[2-[4-(trifluoromethyl)phenyl]ethenylsulfonylmethyl]benzene
CID 91375961
1-[[(E)-2-(4-bromophenyl)ethenyl]sulfonylmethyl]-4-(trifluoromethyl)benzene
CID 22065308
(4-fluorophenyl)methyl-hydroxy-oxo-sulfanylidene-λ6-sulfane
CID 151287541
(4-fluorophenyl)methanesulfonamide
CID 16785078

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(4-fluorophenyl)methylsulfonyl]ethenyl]furan?
The IUPAC name of 3-[2-[(4-fluorophenyl)methylsulfonyl]ethenyl]furan (CID 173247017) is 3-[2-[(4-fluorophenyl)methylsulfonyl]ethenyl]furan.
What is the SMILES notation for 3-[2-[(4-fluorophenyl)methylsulfonyl]ethenyl]furan?
The canonical SMILES for 3-[2-[(4-fluorophenyl)methylsulfonyl]ethenyl]furan is O=S(=O)(C=Cc1ccoc1)Cc1ccc(F)cc1.
What is the InChIKey of 3-[2-[(4-fluorophenyl)methylsulfonyl]ethenyl]furan?
The InChIKey is FDLGFEHYQOICFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FO3S/c14-13-3-1-12(2-4-13)10-18(15,16)8-6-11-5-7-17-9-11/h1-9H,10H2.
What are the key properties of 3-[2-[(4-fluorophenyl)methylsulfonyl]ethenyl]furan?
3-[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 3-[2-[(4-fluorophenyl)methylsulfonyl]ethenyl]furan is sourced from PubChem (CID 173247017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).