2-fluoro-4-methylsulfonyl-1-prop-1-en-2-ylbenzene

C10H11FO2S — CID 58114334

IUPAC2-fluoro-4-methylsulfonyl-1-prop-1-en-2-ylbenzene
SMILESC=C(C)c1ccc(S(C)(=O)=O)cc1F
InChIInChI=1S/C10H11FO2S/c1-7(2)9-5-4-8(6-10(9)11)14(3,12)13/h4-6H,1H2,2-3H3
InChIKeyKUXPLCHIQOWADQ-UHFFFAOYSA-N
MW214.26 g/mol
LogP2.26
Rot. Bonds2

About 2-fluoro-4-methylsulfonyl-1-prop-1-en-2-ylbenzene

2-fluoro-4-methylsulfonyl-1-prop-1-en-2-ylbenzene (PubChem CID 58114334) has the molecular formula C10H11FO2S and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-fluoro-4-methylsulfonyl-1-prop-1-en-2-ylbenzene.

Molecular Properties

Compound Name2-fluoro-4-methylsulfonyl-1-prop-1-en-2-ylbenzene
PubChem CID58114334
Molecular FormulaC10H11FO2S
Molecular Weight214.26 g/mol
Exact Mass214.05
IUPAC Name2-fluoro-4-methylsulfonyl-1-prop-1-en-2-ylbenzene
SMILESC=C(C)c1ccc(S(C)(=O)=O)cc1F
InChIInChI=1S/C10H11FO2S/c1-7(2)9-5-4-8(6-10(9)11)14(3,12)13/h4-6H,1H2,2-3H3
InChIKeyKUXPLCHIQOWADQ-UHFFFAOYSA-N
XLogP2.26
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-1-(2-fluoro-4-methylsulfonylphenyl)ethanone
CID 11173933
1-[(Z)-1-chloroprop-1-enyl]-2-fluoro-4-methylsulfonylbenzene
CID 145207047
1-(2-fluoro-5-methylsulfonylphenyl)ethanone
CID 83409937
2,4-difluoro-1-prop-1-en-2-ylbenzene
CID 10877333
trifluoro-(2-fluoro-4-methylsulfonylphenyl)boranuide
CID 124706262
N-(4-bromo-2-fluorophenyl)-2-fluoro-4-methylsulfonylbenzamide
CID 71257495
2-bromo-1-(2-fluoro-5-methylsulfonylphenyl)ethanone
CID 99770936
methyl 3-fluoro-4-prop-1-en-2-ylbenzoate
CID 118196123
6-methylsulfonylnaphthalene-1,4-dicarboxylic acid
CID 57081801
2-fluoro-5-methylsulfonylbenzenesulfinic acid
CID 70999980
bis(2-methyl-4-methylsulfonylphenyl)methanone
CID 141299848
2-fluoro-5-methylsulfonylbenzenesulfonyl fluoride
CID 122236189

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methylsulfonyl-1-prop-1-en-2-ylbenzene?
The IUPAC name of 2-fluoro-4-methylsulfonyl-1-prop-1-en-2-ylbenzene (CID 58114334) is 2-fluoro-4-methylsulfonyl-1-prop-1-en-2-ylbenzene.
What is the SMILES notation for 2-fluoro-4-methylsulfonyl-1-prop-1-en-2-ylbenzene?
The canonical SMILES for 2-fluoro-4-methylsulfonyl-1-prop-1-en-2-ylbenzene is C=C(C)c1ccc(S(C)(=O)=O)cc1F.
What is the InChIKey of 2-fluoro-4-methylsulfonyl-1-prop-1-en-2-ylbenzene?
The InChIKey is KUXPLCHIQOWADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO2S/c1-7(2)9-5-4-8(6-10(9)11)14(3,12)13/h4-6H,1H2,2-3H3.
What are the key properties of 2-fluoro-4-methylsulfonyl-1-prop-1-en-2-ylbenzene?
2-fluoro-4-methylsulfonyl-1-prop-1-en-2-ylbenzene has a molecular weight of 214.26 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methylsulfonyl-1-prop-1-en-2-ylbenzene is sourced from PubChem (CID 58114334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).