2-[(E)-2-[(4-fluorophenyl)methylsulfinyl]ethenyl]furan

C13H11FO2S — CID 68563229

IUPAC2-[(E)-2-[(4-fluorophenyl)methylsulfinyl]ethenyl]furan
SMILESO=S(/C=C/c1ccco1)Cc1ccc(F)cc1
InChIInChI=1S/C13H11FO2S/c14-12-5-3-11(4-6-12)10-17(15)9-7-13-2-1-8-16-13/h1-9H,10H2/b9-7+
InChIKeyMEOZBIWDGDSIJR-VQHVLOKHSA-N
MW250.29 g/mol
LogP3.34
Rot. Bonds4

About 2-[(E)-2-[(4-fluorophenyl)methylsulfinyl]ethenyl]furan

2-[(E)-2-[(4-fluorophenyl)methylsulfinyl]ethenyl]furan (PubChem CID 68563229) has the molecular formula C13H11FO2S and a molecular weight of 250.29 g/mol. Its IUPAC name is 2-[(E)-2-[(4-fluorophenyl)methylsulfinyl]ethenyl]furan.

Molecular Properties

Compound Name2-[(E)-2-[(4-fluorophenyl)methylsulfinyl]ethenyl]furan
PubChem CID68563229
Molecular FormulaC13H11FO2S
Molecular Weight250.29 g/mol
Exact Mass250.05
IUPAC Name2-[(E)-2-[(4-fluorophenyl)methylsulfinyl]ethenyl]furan
SMILESO=S(/C=C/c1ccco1)Cc1ccc(F)cc1
InChIInChI=1S/C13H11FO2S/c14-12-5-3-11(4-6-12)10-17(15)9-7-13-2-1-8-16-13/h1-9H,10H2/b9-7+
InChIKeyMEOZBIWDGDSIJR-VQHVLOKHSA-N
XLogP3.34
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-chloro-4-[[(E)-2-(4-fluorophenyl)ethenyl]sulfinylmethyl]benzene
CID 66810700
(E)-N-[2-(4-fluorophenyl)ethyl]-3-(furan-2-yl)prop-2-enamide
CID 7700192
1-bromo-4-(ethenylsulfinylmethyl)benzene;1-[[(E)-2-(4-bromophenyl)ethenyl]sulfinylmethyl]-4-fluorobenzene
CID 69363759
(Z)-1-(4-fluorophenyl)-3-(furan-2-yl)prop-2-en-1-one
CID 11550283
[(2S)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] (E)-3-(furan-2-yl)prop-2-enoate
CID 7852318
2-[(E)-2-fluoroethenyl]furan
CID 145208016
[4-(4-fluorobenzoyl)phenyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 7931115
1-[(4-fluorophenyl)methyl]-3-[(Z)-furan-2-ylmethylideneamino]thiourea
CID 8870289
(E)-2-(furan-2-yl)ethenethiol
CID 87339498
(5E)-3-[(4-fluorophenyl)methyl]-5-(furan-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 1231285
triethylplumbyl 3-(furan-2-yl)prop-2-enoate
CID 53421031
3-(furan-2-yl)-N-methylprop-2-en-1-amine
CID 79347007

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-[(4-fluorophenyl)methylsulfinyl]ethenyl]furan?
The IUPAC name of 2-[(E)-2-[(4-fluorophenyl)methylsulfinyl]ethenyl]furan (CID 68563229) is 2-[(E)-2-[(4-fluorophenyl)methylsulfinyl]ethenyl]furan.
What is the SMILES notation for 2-[(E)-2-[(4-fluorophenyl)methylsulfinyl]ethenyl]furan?
The canonical SMILES for 2-[(E)-2-[(4-fluorophenyl)methylsulfinyl]ethenyl]furan is O=S(/C=C/c1ccco1)Cc1ccc(F)cc1.
What is the InChIKey of 2-[(E)-2-[(4-fluorophenyl)methylsulfinyl]ethenyl]furan?
The InChIKey is MEOZBIWDGDSIJR-VQHVLOKHSA-N. The full InChI is InChI=1S/C13H11FO2S/c14-12-5-3-11(4-6-12)10-17(15)9-7-13-2-1-8-16-13/h1-9H,10H2/b9-7+.
What are the key properties of 2-[(E)-2-[(4-fluorophenyl)methylsulfinyl]ethenyl]furan?
2-[(E)-2-[(4-fluorophenyl)methylsulfinyl]ethenyl]furan has a molecular weight of 250.29 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-[(4-fluorophenyl)methylsulfinyl]ethenyl]furan is sourced from PubChem (CID 68563229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).