1-fluoro-4-(2-methylsulfonylcyclopropyl)benzene

C10H11FO2S — CID 102548747

IUPAC1-fluoro-4-(2-methylsulfonylcyclopropyl)benzene
SMILESCS(=O)(=O)C1CC1c1ccc(F)cc1
InChIInChI=1S/C10H11FO2S/c1-14(12,13)10-6-9(10)7-2-4-8(11)5-3-7/h2-5,9-10H,6H2,1H3
InChIKeyFXGGLOLGXPAIFL-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.73
Rot. Bonds2

About 1-fluoro-4-(2-methylsulfonylcyclopropyl)benzene

1-fluoro-4-(2-methylsulfonylcyclopropyl)benzene (PubChem CID 102548747) has the molecular formula C10H11FO2S and a molecular weight of 214.26 g/mol. Its IUPAC name is 1-fluoro-4-(2-methylsulfonylcyclopropyl)benzene.

Molecular Properties

Compound Name1-fluoro-4-(2-methylsulfonylcyclopropyl)benzene
PubChem CID102548747
Molecular FormulaC10H11FO2S
Molecular Weight214.26 g/mol
Exact Mass214.05
IUPAC Name1-fluoro-4-(2-methylsulfonylcyclopropyl)benzene
SMILESCS(=O)(=O)C1CC1c1ccc(F)cc1
InChIInChI=1S/C10H11FO2S/c1-14(12,13)10-6-9(10)7-2-4-8(11)5-3-7/h2-5,9-10H,6H2,1H3
InChIKeyFXGGLOLGXPAIFL-UHFFFAOYSA-N
XLogP1.73
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 ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Thiophene, tetrahydro-3-phenyl-, 1-oxide
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alpha-(Methylsulphonyl)toluene
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4-Phenyl-2,3-dihydro-1H-1lambda~6~-thiophene-1,1-dione
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3-Phenyl-2,3-dihydrothiophene 1,1-dioxide
CID 282950
Sulfoxide, methyl phenethyl
CID 561374
5-Phenylpentane-1-sulfonyl fluoride
CID 71453862
Mesylmethyl(benzyl)sulfone
CID 12424886
2-(4-fluorophenyl)-6,7-dihydro-5H-1,4-dithiepine 1,1,4,4-tetraoxide
CID 9860799
2-(2-fluorophenyl)-6,7-dihydro-5H-1,4-dithiepine 1,1,4,4-tetraoxide
CID 91591245
Sulfone, benzyl dodecyl
CID 3052393
2-Phenyl-1lambda6-thiolane-1,1-dione
CID 12240759
1-Phenylethane-1-sulfonyl fluoride
CID 22642487

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-(2-methylsulfonylcyclopropyl)benzene?
The IUPAC name of 1-fluoro-4-(2-methylsulfonylcyclopropyl)benzene (CID 102548747) is 1-fluoro-4-(2-methylsulfonylcyclopropyl)benzene.
What is the SMILES notation for 1-fluoro-4-(2-methylsulfonylcyclopropyl)benzene?
The canonical SMILES for 1-fluoro-4-(2-methylsulfonylcyclopropyl)benzene is CS(=O)(=O)C1CC1c1ccc(F)cc1.
What is the InChIKey of 1-fluoro-4-(2-methylsulfonylcyclopropyl)benzene?
The InChIKey is FXGGLOLGXPAIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO2S/c1-14(12,13)10-6-9(10)7-2-4-8(11)5-3-7/h2-5,9-10H,6H2,1H3.
What are the key properties of 1-fluoro-4-(2-methylsulfonylcyclopropyl)benzene?
1-fluoro-4-(2-methylsulfonylcyclopropyl)benzene has a molecular weight of 214.26 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-(2-methylsulfonylcyclopropyl)benzene is sourced from PubChem (CID 102548747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).