1-[(Z)-1-chloroprop-1-enyl]-2-fluoro-4-methylsulfonylbenzene

C10H10ClFO2S — CID 145207047

IUPAC1-[(Z)-1-chloroprop-1-enyl]-2-fluoro-4-methylsulfonylbenzene
SMILESC/C=C(\Cl)c1ccc(S(C)(=O)=O)cc1F
InChIInChI=1S/C10H10ClFO2S/c1-3-9(11)8-5-4-7(6-10(8)12)15(2,13)14/h3-6H,1-2H3/b9-3-
InChIKeyFTDCDKCYVQJDKR-OQFOIZHKSA-N
MW248.71 g/mol
LogP2.83
Rot. Bonds2

About 1-[(Z)-1-chloroprop-1-enyl]-2-fluoro-4-methylsulfonylbenzene

1-[(Z)-1-chloroprop-1-enyl]-2-fluoro-4-methylsulfonylbenzene (PubChem CID 145207047) has the molecular formula C10H10ClFO2S and a molecular weight of 248.71 g/mol. Its IUPAC name is 1-[(Z)-1-chloroprop-1-enyl]-2-fluoro-4-methylsulfonylbenzene.

Molecular Properties

Compound Name1-[(Z)-1-chloroprop-1-enyl]-2-fluoro-4-methylsulfonylbenzene
PubChem CID145207047
Molecular FormulaC10H10ClFO2S
Molecular Weight248.71 g/mol
Exact Mass248.01
IUPAC Name1-[(Z)-1-chloroprop-1-enyl]-2-fluoro-4-methylsulfonylbenzene
SMILESC/C=C(\Cl)c1ccc(S(C)(=O)=O)cc1F
InChIInChI=1S/C10H10ClFO2S/c1-3-9(11)8-5-4-7(6-10(8)12)15(2,13)14/h3-6H,1-2H3/b9-3-
InChIKeyFTDCDKCYVQJDKR-OQFOIZHKSA-N
XLogP2.83
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-4-methylsulfonyl-1-prop-1-en-2-ylbenzene
CID 58114334
2-bromo-1-(2-fluoro-4-methylsulfonylphenyl)ethanone
CID 11173933
trifluoro-(2-fluoro-4-methylsulfonylphenyl)boranuide
CID 124706262
1-(2-fluoro-5-methylsulfonylphenyl)ethanone
CID 83409937
N-(4-bromo-2-fluorophenyl)-2-fluoro-4-methylsulfonylbenzamide
CID 71257495
2-bromo-1-(2-fluoro-5-methylsulfonylphenyl)ethanone
CID 99770936
6-methylsulfonylnaphthalene-1,4-dicarboxylic acid
CID 57081801
[(2-fluoro-4-methylsulfonylphenyl)methylideneamino]urea
CID 168534018
N-[(5-chloro-2,3-dihydro-1H-inden-1-yl)methylidene]-2-fluoro-4-methylsulfonylbenzamide
CID 155283123
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 1-[(Z)-1-chloroprop-1-enyl]-2-fluoro-4-methylsulfonylbenzene?
The IUPAC name of 1-[(Z)-1-chloroprop-1-enyl]-2-fluoro-4-methylsulfonylbenzene (CID 145207047) is 1-[(Z)-1-chloroprop-1-enyl]-2-fluoro-4-methylsulfonylbenzene.
What is the SMILES notation for 1-[(Z)-1-chloroprop-1-enyl]-2-fluoro-4-methylsulfonylbenzene?
The canonical SMILES for 1-[(Z)-1-chloroprop-1-enyl]-2-fluoro-4-methylsulfonylbenzene is C/C=C(\Cl)c1ccc(S(C)(=O)=O)cc1F.
What is the InChIKey of 1-[(Z)-1-chloroprop-1-enyl]-2-fluoro-4-methylsulfonylbenzene?
The InChIKey is FTDCDKCYVQJDKR-OQFOIZHKSA-N. The full InChI is InChI=1S/C10H10ClFO2S/c1-3-9(11)8-5-4-7(6-10(8)12)15(2,13)14/h3-6H,1-2H3/b9-3-.
What are the key properties of 1-[(Z)-1-chloroprop-1-enyl]-2-fluoro-4-methylsulfonylbenzene?
1-[(Z)-1-chloroprop-1-enyl]-2-fluoro-4-methylsulfonylbenzene has a molecular weight of 248.71 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-1-chloroprop-1-enyl]-2-fluoro-4-methylsulfonylbenzene is sourced from PubChem (CID 145207047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).