ethyl 1,2,2-trifluoroethenyl sulfate

C4H5F3O4S — CID 87155642

IUPACethyl 1,2,2-trifluoroethenyl sulfate
SMILESCCOS(=O)(=O)OC(F)=C(F)F
InChIInChI=1S/C4H5F3O4S/c1-2-10-12(8,9)11-4(7)3(5)6/h2H2,1H3
InChIKeyOVBKUKDDMHVDJC-UHFFFAOYSA-N
MW206.14 g/mol
LogP1.32
Rot. Bonds4

About ethyl 1,2,2-trifluoroethenyl sulfate

ethyl 1,2,2-trifluoroethenyl sulfate (PubChem CID 87155642) has the molecular formula C4H5F3O4S and a molecular weight of 206.14 g/mol. Its IUPAC name is ethyl 1,2,2-trifluoroethenyl sulfate.

Molecular Properties

Compound Nameethyl 1,2,2-trifluoroethenyl sulfate
PubChem CID87155642
Molecular FormulaC4H5F3O4S
Molecular Weight206.14 g/mol
Exact Mass205.99
IUPAC Nameethyl 1,2,2-trifluoroethenyl sulfate
SMILESCCOS(=O)(=O)OC(F)=C(F)F
InChIInChI=1S/C4H5F3O4S/c1-2-10-12(8,9)11-4(7)3(5)6/h2H2,1H3
InChIKeyOVBKUKDDMHVDJC-UHFFFAOYSA-N
XLogP1.32
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.14
LogP ≤ 51.32
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

Butyl trifluorovinyl sulfate
CID 129805397
Bis(2,2,2-trifluoroethyl) sulfate
CID 13360356
Methyl 2,2,2-trifluoroethyl sulfate
CID 13360357
Ethyl 2,2,2-trifluoroethyl sulfate
CID 22001137
Ethyl 2,2,3,3,3-pentafluoropropyl sulfate
CID 87154787
Ethyl 1-fluoroethenyl sulfate
CID 87154791
Ethyl 1,2,2-trifluoroethenyl sulfite
CID 87154829
Ethyl 1,1,2,2,3,3,3-heptafluoropropyl sulfate
CID 87155134
Bis(1-fluoroethyl) sulfate
CID 87155284
Ethyl 1,1,2,2,2-pentafluoroethyl sulfate
CID 87155362
Ethyl 2,2,2-trifluoroethyl sulfite
CID 87155616
Difluoromethyl ethyl sulfate
CID 87155636

Frequently Asked Questions

What is the IUPAC name of ethyl 1,2,2-trifluoroethenyl sulfate?
The IUPAC name of ethyl 1,2,2-trifluoroethenyl sulfate (CID 87155642) is ethyl 1,2,2-trifluoroethenyl sulfate.
What is the SMILES notation for ethyl 1,2,2-trifluoroethenyl sulfate?
The canonical SMILES for ethyl 1,2,2-trifluoroethenyl sulfate is CCOS(=O)(=O)OC(F)=C(F)F.
What is the InChIKey of ethyl 1,2,2-trifluoroethenyl sulfate?
The InChIKey is OVBKUKDDMHVDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F3O4S/c1-2-10-12(8,9)11-4(7)3(5)6/h2H2,1H3.
What are the key properties of ethyl 1,2,2-trifluoroethenyl sulfate?
ethyl 1,2,2-trifluoroethenyl sulfate has a molecular weight of 206.14 g/mol, XLogP of 1.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,2,2-trifluoroethenyl sulfate is sourced from PubChem (CID 87155642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).