1-fluoro-3-[(E)-2-methylsulfonylethenyl]benzene

C9H9FO2S — CID 12604148

IUPAC1-fluoro-3-[(E)-2-methylsulfonylethenyl]benzene
SMILESCS(=O)(=O)/C=C/c1cccc(F)c1
InChIInChI=1S/C9H9FO2S/c1-13(11,12)6-5-8-3-2-4-9(10)7-8/h2-7H,1H3/b6-5+
InChIKeyBXRKMUVLNZWNHH-AATRIKPKSA-N
MW200.23 g/mol
LogP1.84
Rot. Bonds2

About 1-fluoro-3-[(E)-2-methylsulfonylethenyl]benzene

1-fluoro-3-[(E)-2-methylsulfonylethenyl]benzene (PubChem CID 12604148) has the molecular formula C9H9FO2S and a molecular weight of 200.23 g/mol. Its IUPAC name is 1-fluoro-3-[(E)-2-methylsulfonylethenyl]benzene.

Molecular Properties

Compound Name1-fluoro-3-[(E)-2-methylsulfonylethenyl]benzene
PubChem CID12604148
Molecular FormulaC9H9FO2S
Molecular Weight200.23 g/mol
Exact Mass200.03
IUPAC Name1-fluoro-3-[(E)-2-methylsulfonylethenyl]benzene
SMILESCS(=O)(=O)/C=C/c1cccc(F)c1
InChIInChI=1S/C9H9FO2S/c1-13(11,12)6-5-8-3-2-4-9(10)7-8/h2-7H,1H3/b6-5+
InChIKeyBXRKMUVLNZWNHH-AATRIKPKSA-N
XLogP1.84
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-difluoro-1-[(E)-2-methylsulfonylethenyl]benzene
CID 87339541
1-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]benzene
CID 11148621
5-[(E)-2-(3-fluorophenyl)ethenyl]benzene-1,3-diol
CID 44563802
5-[2-(3-fluorophenyl)ethenyl]benzene-1,3-diol
CID 75071270
3-(3-fluorophenyl)prop-2-enoate
CID 53448593
1-fluoro-3-[(E)-3-iodobut-1-enyl]benzene
CID 142022968
1-[2-(3-fluorophenyl)ethenyl]-3,5-bis(trifluoromethyl)benzene
CID 175767255
(Z)-3-(3-fluorophenyl)-2-methylprop-2-enoic acid
CID 131513172
1-fluoro-3-[(Z)-2-(4-methoxyphenyl)ethenyl]benzene
CID 89327803
N-[(E)-3-(3-fluorophenyl)prop-2-enyl]-4-methylbenzenesulfonamide
CID 44546125
(Z)-3-(3-fluorophenyl)-N-methoxy-N-methylprop-2-enamide
CID 97305733
4-[(E)-2-(3-fluorophenyl)ethenyl]benzoic acid
CID 170326010

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-[(E)-2-methylsulfonylethenyl]benzene?
The IUPAC name of 1-fluoro-3-[(E)-2-methylsulfonylethenyl]benzene (CID 12604148) is 1-fluoro-3-[(E)-2-methylsulfonylethenyl]benzene.
What is the SMILES notation for 1-fluoro-3-[(E)-2-methylsulfonylethenyl]benzene?
The canonical SMILES for 1-fluoro-3-[(E)-2-methylsulfonylethenyl]benzene is CS(=O)(=O)/C=C/c1cccc(F)c1.
What is the InChIKey of 1-fluoro-3-[(E)-2-methylsulfonylethenyl]benzene?
The InChIKey is BXRKMUVLNZWNHH-AATRIKPKSA-N. The full InChI is InChI=1S/C9H9FO2S/c1-13(11,12)6-5-8-3-2-4-9(10)7-8/h2-7H,1H3/b6-5+.
What are the key properties of 1-fluoro-3-[(E)-2-methylsulfonylethenyl]benzene?
1-fluoro-3-[(E)-2-methylsulfonylethenyl]benzene has a molecular weight of 200.23 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-[(E)-2-methylsulfonylethenyl]benzene is sourced from PubChem (CID 12604148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).