1-fluoro-4-(3-methylsulfonylprop-1-en-2-yl)benzene

C10H11FO2S — CID 10036168

IUPAC1-fluoro-4-(3-methylsulfonylprop-1-en-2-yl)benzene
SMILESC=C(CS(C)(=O)=O)c1ccc(F)cc1
InChIInChI=1S/C10H11FO2S/c1-8(7-14(2,12)13)9-3-5-10(11)6-4-9/h3-6H,1,7H2,2H3
InChIKeyQSOFRWKWTZHWIV-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.88
Rot. Bonds3

About 1-fluoro-4-(3-methylsulfonylprop-1-en-2-yl)benzene

1-fluoro-4-(3-methylsulfonylprop-1-en-2-yl)benzene (PubChem CID 10036168) has the molecular formula C10H11FO2S and a molecular weight of 214.26 g/mol. Its IUPAC name is 1-fluoro-4-(3-methylsulfonylprop-1-en-2-yl)benzene.

Molecular Properties

Compound Name1-fluoro-4-(3-methylsulfonylprop-1-en-2-yl)benzene
PubChem CID10036168
Molecular FormulaC10H11FO2S
Molecular Weight214.26 g/mol
Exact Mass214.05
IUPAC Name1-fluoro-4-(3-methylsulfonylprop-1-en-2-yl)benzene
SMILESC=C(CS(C)(=O)=O)c1ccc(F)cc1
InChIInChI=1S/C10H11FO2S/c1-8(7-14(2,12)13)9-3-5-10(11)6-4-9/h3-6H,1,7H2,2H3
InChIKeyQSOFRWKWTZHWIV-UHFFFAOYSA-N
XLogP1.88
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Phenylmethylsulfonyl Fluoride
CID 4784
Benzylsulfonic acid
CID 7532
alpha-(Methylsulphonyl)toluene
CID 76562
Dibenzyl sulfone
CID 69282
Sulfone, allyl p-tolyl
CID 96276
Potassium Xylenesulfonate
CID 23689308
1-(Ethylsulfonyl)-4-methylbenzene
CID 97651
P-Tolyl vinyl sulfone
CID 79665
p-Tolyl methyl sulfone
CID 18521
alpha-(Methylsulphinyl)toluene
CID 69991
Dithiipin-1,1,4,4-tetroxide analogue 7
CID 9947811
2-Phenyl-1,3-dithiolane 1,1,3,3-tetraoxide
CID 899873

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-(3-methylsulfonylprop-1-en-2-yl)benzene?
The IUPAC name of 1-fluoro-4-(3-methylsulfonylprop-1-en-2-yl)benzene (CID 10036168) is 1-fluoro-4-(3-methylsulfonylprop-1-en-2-yl)benzene.
What is the SMILES notation for 1-fluoro-4-(3-methylsulfonylprop-1-en-2-yl)benzene?
The canonical SMILES for 1-fluoro-4-(3-methylsulfonylprop-1-en-2-yl)benzene is C=C(CS(C)(=O)=O)c1ccc(F)cc1.
What is the InChIKey of 1-fluoro-4-(3-methylsulfonylprop-1-en-2-yl)benzene?
The InChIKey is QSOFRWKWTZHWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO2S/c1-8(7-14(2,12)13)9-3-5-10(11)6-4-9/h3-6H,1,7H2,2H3.
What are the key properties of 1-fluoro-4-(3-methylsulfonylprop-1-en-2-yl)benzene?
1-fluoro-4-(3-methylsulfonylprop-1-en-2-yl)benzene has a molecular weight of 214.26 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-(3-methylsulfonylprop-1-en-2-yl)benzene is sourced from PubChem (CID 10036168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).