1-fluoro-4-[(Z)-non-5-en-4-yl]sulfonylbenzene

C15H21FO2S — CID 132565731

IUPAC1-fluoro-4-[(Z)-non-5-en-4-yl]sulfonylbenzene
SMILESCCC/C=C\C(CCC)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H21FO2S/c1-3-5-6-8-14(7-4-2)19(17,18)15-11-9-13(16)10-12-15/h6,8-12,14H,3-5,7H2,1-2H3/b8-6-
InChIKeyNBBCMGFSEUAMNZ-VURMDHGXSA-N
MW284.40 g/mol
LogP4.12
Rot. Bonds7

About 1-fluoro-4-[(Z)-non-5-en-4-yl]sulfonylbenzene

1-fluoro-4-[(Z)-non-5-en-4-yl]sulfonylbenzene (PubChem CID 132565731) has the molecular formula C15H21FO2S and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-fluoro-4-[(Z)-non-5-en-4-yl]sulfonylbenzene.

Molecular Properties

Compound Name1-fluoro-4-[(Z)-non-5-en-4-yl]sulfonylbenzene
PubChem CID132565731
Molecular FormulaC15H21FO2S
Molecular Weight284.40 g/mol
Exact Mass284.12
IUPAC Name1-fluoro-4-[(Z)-non-5-en-4-yl]sulfonylbenzene
SMILESCCC/C=C\C(CCC)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H21FO2S/c1-3-5-6-8-14(7-4-2)19(17,18)15-11-9-13(16)10-12-15/h6,8-12,14H,3-5,7H2,1-2H3/b8-6-
InChIKeyNBBCMGFSEUAMNZ-VURMDHGXSA-N
XLogP4.12
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Diphenyl sulfone
CID 31386
Fluoresone
CID 71814
Methyl phenyl sulfone
CID 18369
1,1'-(1,2-Ethanediylbis(sulfonyl))bis(benzene)
CID 69036
Phenylsulphonylacetonitrile
CID 82077
(2-Propen-1-ylsulfonyl)benzene
CID 85330
Phenyl vinyl sulfone
CID 79664
Methyl phenyl sulfoxide
CID 14516
(Ethylsulphonyl)benzene
CID 69032
Benzene, 1,1'-sulfonylbis(4-fluoro-
CID 67842
((2-Chloroethyl)sulphonyl)benzene
CID 13646
trans-1,2-Bis(phenylsulfonyl)ethylene
CID 5367099

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[(Z)-non-5-en-4-yl]sulfonylbenzene?
The IUPAC name of 1-fluoro-4-[(Z)-non-5-en-4-yl]sulfonylbenzene (CID 132565731) is 1-fluoro-4-[(Z)-non-5-en-4-yl]sulfonylbenzene.
What is the SMILES notation for 1-fluoro-4-[(Z)-non-5-en-4-yl]sulfonylbenzene?
The canonical SMILES for 1-fluoro-4-[(Z)-non-5-en-4-yl]sulfonylbenzene is CCC/C=C\C(CCC)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 1-fluoro-4-[(Z)-non-5-en-4-yl]sulfonylbenzene?
The InChIKey is NBBCMGFSEUAMNZ-VURMDHGXSA-N. The full InChI is InChI=1S/C15H21FO2S/c1-3-5-6-8-14(7-4-2)19(17,18)15-11-9-13(16)10-12-15/h6,8-12,14H,3-5,7H2,1-2H3/b8-6-.
What are the key properties of 1-fluoro-4-[(Z)-non-5-en-4-yl]sulfonylbenzene?
1-fluoro-4-[(Z)-non-5-en-4-yl]sulfonylbenzene has a molecular weight of 284.40 g/mol, XLogP of 4.12, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[(Z)-non-5-en-4-yl]sulfonylbenzene is sourced from PubChem (CID 132565731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).