ethyl 1,2,2-trifluoroethenyl sulfite

C4H5F3O3S — CID 87154829

IUPACethyl 1,2,2-trifluoroethenyl sulfite
SMILESCCOS(=O)OC(F)=C(F)F
InChIInChI=1S/C4H5F3O3S/c1-2-9-11(8)10-4(7)3(5)6/h2H2,1H3
InChIKeyAZPWNZZWMRNVCU-UHFFFAOYSA-N
MW190.14 g/mol
LogP1.65
Rot. Bonds4

About ethyl 1,2,2-trifluoroethenyl sulfite

ethyl 1,2,2-trifluoroethenyl sulfite (PubChem CID 87154829) has the molecular formula C4H5F3O3S and a molecular weight of 190.14 g/mol. Its IUPAC name is ethyl 1,2,2-trifluoroethenyl sulfite.

Molecular Properties

Compound Nameethyl 1,2,2-trifluoroethenyl sulfite
PubChem CID87154829
Molecular FormulaC4H5F3O3S
Molecular Weight190.14 g/mol
Exact Mass189.99
IUPAC Nameethyl 1,2,2-trifluoroethenyl sulfite
SMILESCCOS(=O)OC(F)=C(F)F
InChIInChI=1S/C4H5F3O3S/c1-2-9-11(8)10-4(7)3(5)6/h2H2,1H3
InChIKeyAZPWNZZWMRNVCU-UHFFFAOYSA-N
XLogP1.65
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.14
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 1,2,2-trifluoroethenyl sulfite?
The IUPAC name of ethyl 1,2,2-trifluoroethenyl sulfite (CID 87154829) is ethyl 1,2,2-trifluoroethenyl sulfite.
What is the SMILES notation for ethyl 1,2,2-trifluoroethenyl sulfite?
The canonical SMILES for ethyl 1,2,2-trifluoroethenyl sulfite is CCOS(=O)OC(F)=C(F)F.
What is the InChIKey of ethyl 1,2,2-trifluoroethenyl sulfite?
The InChIKey is AZPWNZZWMRNVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F3O3S/c1-2-9-11(8)10-4(7)3(5)6/h2H2,1H3.
What are the key properties of ethyl 1,2,2-trifluoroethenyl sulfite?
ethyl 1,2,2-trifluoroethenyl sulfite has a molecular weight of 190.14 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,2,2-trifluoroethenyl sulfite is sourced from PubChem (CID 87154829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).