1-fluorosulfonyloxy-4-prop-2-enoxybenzene

C9H9FO4S — CID 168819364

IUPAC1-fluorosulfonyloxy-4-prop-2-enoxybenzene
SMILESC=CCOc1ccc(OS(=O)(=O)F)cc1
InChIInChI=1S/C9H9FO4S/c1-2-7-13-8-3-5-9(6-4-8)14-15(10,11)12/h2-6H,1,7H2
InChIKeyCAFZELBHQRBMOB-UHFFFAOYSA-N
MW232.23 g/mol
LogP1.84
Rot. Bonds5

About 1-fluorosulfonyloxy-4-prop-2-enoxybenzene

1-fluorosulfonyloxy-4-prop-2-enoxybenzene (PubChem CID 168819364) has the molecular formula C9H9FO4S and a molecular weight of 232.23 g/mol. Its IUPAC name is 1-fluorosulfonyloxy-4-prop-2-enoxybenzene.

Molecular Properties

Compound Name1-fluorosulfonyloxy-4-prop-2-enoxybenzene
PubChem CID168819364
Molecular FormulaC9H9FO4S
Molecular Weight232.23 g/mol
Exact Mass232.02
IUPAC Name1-fluorosulfonyloxy-4-prop-2-enoxybenzene
SMILESC=CCOc1ccc(OS(=O)(=O)F)cc1
InChIInChI=1S/C9H9FO4S/c1-2-7-13-8-3-5-9(6-4-8)14-15(10,11)12/h2-6H,1,7H2
InChIKeyCAFZELBHQRBMOB-UHFFFAOYSA-N
XLogP1.84
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,4-bis(fluorosulfonyloxy)benzene
CID 118561819
1-fluorosulfonyloxy-4-(2,2,2-trifluoroethoxy)benzene
CID 146049120
1-ethenylsulfonyl-4-fluorosulfonyloxybenzene
CID 169258949
N-(4-prop-2-enoxyphenyl)methanesulfonamide
CID 15675894
1-(bromomethoxy)-4-prop-2-enoxybenzene
CID 23452925
1,4-bis[2-(4-prop-2-enoxyphenyl)ethenyl]benzene
CID 89211050
1-fluorosulfonyloxy-4-(hydroxymethyl)benzene
CID 137402069
N,N-diethyl-4-prop-2-enoxybenzenesulfonamide
CID 141457908
1-prop-2-enoxy-4-[(4-prop-2-enoxyphenyl)disulfanyl]benzene
CID 22556356
1-(4-ethoxyphenyl)-2-(4-prop-2-enoxyphenyl)ethane-1,2-dione
CID 129074944
1-(aminomethyl)-4-fluorosulfonyloxybenzene;hydrochloride
CID 170911916
[dimethyl-(4-prop-2-enoxyphenyl)-λ4-sulfanyl] trifluoromethanesulfonate
CID 162405292

Frequently Asked Questions

What is the IUPAC name of 1-fluorosulfonyloxy-4-prop-2-enoxybenzene?
The IUPAC name of 1-fluorosulfonyloxy-4-prop-2-enoxybenzene (CID 168819364) is 1-fluorosulfonyloxy-4-prop-2-enoxybenzene.
What is the SMILES notation for 1-fluorosulfonyloxy-4-prop-2-enoxybenzene?
The canonical SMILES for 1-fluorosulfonyloxy-4-prop-2-enoxybenzene is C=CCOc1ccc(OS(=O)(=O)F)cc1.
What is the InChIKey of 1-fluorosulfonyloxy-4-prop-2-enoxybenzene?
The InChIKey is CAFZELBHQRBMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO4S/c1-2-7-13-8-3-5-9(6-4-8)14-15(10,11)12/h2-6H,1,7H2.
What are the key properties of 1-fluorosulfonyloxy-4-prop-2-enoxybenzene?
1-fluorosulfonyloxy-4-prop-2-enoxybenzene has a molecular weight of 232.23 g/mol, XLogP of 1.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluorosulfonyloxy-4-prop-2-enoxybenzene is sourced from PubChem (CID 168819364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).