[(Z)-1-fluorooct-1-enyl]sulfonylbenzene

C14H19FO2S — CID 23237157

IUPAC[(Z)-1-fluorooct-1-enyl]sulfonylbenzene
SMILESCCCCCC/C=C(/F)S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H19FO2S/c1-2-3-4-5-9-12-14(15)18(16,17)13-10-7-6-8-11-13/h6-8,10-12H,2-5,9H2,1H3/b14-12-
InChIKeyPPJIKKYJVKDFMS-OWBHPGMISA-N
MW270.37 g/mol
LogP4.24
Rot. Bonds7

About [(Z)-1-fluorooct-1-enyl]sulfonylbenzene

[(Z)-1-fluorooct-1-enyl]sulfonylbenzene (PubChem CID 23237157) has the molecular formula C14H19FO2S and a molecular weight of 270.37 g/mol. Its IUPAC name is [(Z)-1-fluorooct-1-enyl]sulfonylbenzene.

Molecular Properties

Compound Name[(Z)-1-fluorooct-1-enyl]sulfonylbenzene
PubChem CID23237157
Molecular FormulaC14H19FO2S
Molecular Weight270.37 g/mol
Exact Mass270.11
IUPAC Name[(Z)-1-fluorooct-1-enyl]sulfonylbenzene
SMILESCCCCCC/C=C(/F)S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H19FO2S/c1-2-3-4-5-9-12-14(15)18(16,17)13-10-7-6-8-11-13/h6-8,10-12H,2-5,9H2,1H3/b14-12-
InChIKeyPPJIKKYJVKDFMS-OWBHPGMISA-N
XLogP4.24
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(Z)-1-fluorooct-1-enyl]sulfonylbenzene?
The IUPAC name of [(Z)-1-fluorooct-1-enyl]sulfonylbenzene (CID 23237157) is [(Z)-1-fluorooct-1-enyl]sulfonylbenzene.
What is the SMILES notation for [(Z)-1-fluorooct-1-enyl]sulfonylbenzene?
The canonical SMILES for [(Z)-1-fluorooct-1-enyl]sulfonylbenzene is CCCCCC/C=C(/F)S(=O)(=O)c1ccccc1.
What is the InChIKey of [(Z)-1-fluorooct-1-enyl]sulfonylbenzene?
The InChIKey is PPJIKKYJVKDFMS-OWBHPGMISA-N. The full InChI is InChI=1S/C14H19FO2S/c1-2-3-4-5-9-12-14(15)18(16,17)13-10-7-6-8-11-13/h6-8,10-12H,2-5,9H2,1H3/b14-12-.
What are the key properties of [(Z)-1-fluorooct-1-enyl]sulfonylbenzene?
[(Z)-1-fluorooct-1-enyl]sulfonylbenzene has a molecular weight of 270.37 g/mol, XLogP of 4.24, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-fluorooct-1-enyl]sulfonylbenzene is sourced from PubChem (CID 23237157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).