[(Z)-3-ethyl-1-fluoropent-1-enyl]sulfonylbenzene

C13H17FO2S — CID 135080811

IUPAC[(Z)-3-ethyl-1-fluoropent-1-enyl]sulfonylbenzene
SMILESCCC(/C=C(/F)S(=O)(=O)c1ccccc1)CC
InChIInChI=1S/C13H17FO2S/c1-3-11(4-2)10-13(14)17(15,16)12-8-6-5-7-9-12/h5-11H,3-4H2,1-2H3/b13-10-
InChIKeyORIICHMJEMLMIP-RAXLEYEMSA-N
MW256.34 g/mol
LogP3.71
Rot. Bonds5

About [(Z)-3-ethyl-1-fluoropent-1-enyl]sulfonylbenzene

[(Z)-3-ethyl-1-fluoropent-1-enyl]sulfonylbenzene (PubChem CID 135080811) has the molecular formula C13H17FO2S and a molecular weight of 256.34 g/mol. Its IUPAC name is [(Z)-3-ethyl-1-fluoropent-1-enyl]sulfonylbenzene.

Molecular Properties

Compound Name[(Z)-3-ethyl-1-fluoropent-1-enyl]sulfonylbenzene
PubChem CID135080811
Molecular FormulaC13H17FO2S
Molecular Weight256.34 g/mol
Exact Mass256.09
IUPAC Name[(Z)-3-ethyl-1-fluoropent-1-enyl]sulfonylbenzene
SMILESCCC(/C=C(/F)S(=O)(=O)c1ccccc1)CC
InChIInChI=1S/C13H17FO2S/c1-3-11(4-2)10-13(14)17(15,16)12-8-6-5-7-9-12/h5-11H,3-4H2,1-2H3/b13-10-
InChIKeyORIICHMJEMLMIP-RAXLEYEMSA-N
XLogP3.71
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of [(Z)-3-ethyl-1-fluoropent-1-enyl]sulfonylbenzene?
The IUPAC name of [(Z)-3-ethyl-1-fluoropent-1-enyl]sulfonylbenzene (CID 135080811) is [(Z)-3-ethyl-1-fluoropent-1-enyl]sulfonylbenzene.
What is the SMILES notation for [(Z)-3-ethyl-1-fluoropent-1-enyl]sulfonylbenzene?
The canonical SMILES for [(Z)-3-ethyl-1-fluoropent-1-enyl]sulfonylbenzene is CCC(/C=C(/F)S(=O)(=O)c1ccccc1)CC.
What is the InChIKey of [(Z)-3-ethyl-1-fluoropent-1-enyl]sulfonylbenzene?
The InChIKey is ORIICHMJEMLMIP-RAXLEYEMSA-N. The full InChI is InChI=1S/C13H17FO2S/c1-3-11(4-2)10-13(14)17(15,16)12-8-6-5-7-9-12/h5-11H,3-4H2,1-2H3/b13-10-.
What are the key properties of [(Z)-3-ethyl-1-fluoropent-1-enyl]sulfonylbenzene?
[(Z)-3-ethyl-1-fluoropent-1-enyl]sulfonylbenzene has a molecular weight of 256.34 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3-ethyl-1-fluoropent-1-enyl]sulfonylbenzene is sourced from PubChem (CID 135080811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).