1-fluoroethenyl phenyl sulfate

C8H7FO4S — CID 87154768

IUPAC1-fluoroethenyl phenyl sulfate
SMILESC=C(F)OS(=O)(=O)Oc1ccccc1
InChIInChI=1S/C8H7FO4S/c1-7(9)12-14(10,11)13-8-5-3-2-4-6-8/h2-6H,1H2
InChIKeyDSSZKZKWPHVAFB-UHFFFAOYSA-N
MW218.20 g/mol
LogP1.77
Rot. Bonds4

About 1-fluoroethenyl phenyl sulfate

1-fluoroethenyl phenyl sulfate (PubChem CID 87154768) has the molecular formula C8H7FO4S and a molecular weight of 218.20 g/mol. Its IUPAC name is 1-fluoroethenyl phenyl sulfate.

Molecular Properties

Compound Name1-fluoroethenyl phenyl sulfate
PubChem CID87154768
Molecular FormulaC8H7FO4S
Molecular Weight218.20 g/mol
Exact Mass218.00
IUPAC Name1-fluoroethenyl phenyl sulfate
SMILESC=C(F)OS(=O)(=O)Oc1ccccc1
InChIInChI=1S/C8H7FO4S/c1-7(9)12-14(10,11)13-8-5-3-2-4-6-8/h2-6H,1H2
InChIKeyDSSZKZKWPHVAFB-UHFFFAOYSA-N
XLogP1.77
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.20
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

sodium;hydride;phenoxysulfonyl benzoate
CID 174270094
fluoromethyl phenyl sulfate
CID 87154755
tert-butyl phenyl sulfate
CID 87155545
oxo-phenoxy-selanylidene-(trifluoromethyl)-λ6-sulfane
CID 172859449
sodium phenyl sulfate
CID 23678346
diphenyl ethane-1,2-disulfonate
CID 4219954
phenyl 1-oxoethanesulfonate
CID 18999205
1-fluoroethenyl trifluoromethanesulfonate
CID 87156219
sodium;hydride;phenyl ethenesulfonate
CID 174175165
ethane-1,2-diamine;phenyl hydrogen sulfate
CID 70504124
bis(4-phenyldiazenylphenyl) sulfate
CID 174735060
sodium;chlorosulfonyloxybenzene;hydride
CID 174571400

Frequently Asked Questions

What is the IUPAC name of 1-fluoroethenyl phenyl sulfate?
The IUPAC name of 1-fluoroethenyl phenyl sulfate (CID 87154768) is 1-fluoroethenyl phenyl sulfate.
What is the SMILES notation for 1-fluoroethenyl phenyl sulfate?
The canonical SMILES for 1-fluoroethenyl phenyl sulfate is C=C(F)OS(=O)(=O)Oc1ccccc1.
What is the InChIKey of 1-fluoroethenyl phenyl sulfate?
The InChIKey is DSSZKZKWPHVAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FO4S/c1-7(9)12-14(10,11)13-8-5-3-2-4-6-8/h2-6H,1H2.
What are the key properties of 1-fluoroethenyl phenyl sulfate?
1-fluoroethenyl phenyl sulfate has a molecular weight of 218.20 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoroethenyl phenyl sulfate is sourced from PubChem (CID 87154768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).