1,2,2-trifluoroethenyl hydrogen sulfate

C2HF3O4S — CID 87451931

IUPAC1,2,2-trifluoroethenyl hydrogen sulfate
SMILESO=S(=O)(O)OC(F)=C(F)F
InChIInChI=1S/C2HF3O4S/c3-1(4)2(5)9-10(6,7)8/h(H,6,7,8)
InChIKeyJZTTXCSWXBBEOE-UHFFFAOYSA-N
MW178.09 g/mol
LogP0.84
Rot. Bonds2

About 1,2,2-trifluoroethenyl hydrogen sulfate

1,2,2-trifluoroethenyl hydrogen sulfate (PubChem CID 87451931) has the molecular formula C2HF3O4S and a molecular weight of 178.09 g/mol. Its IUPAC name is 1,2,2-trifluoroethenyl hydrogen sulfate.

Molecular Properties

Compound Name1,2,2-trifluoroethenyl hydrogen sulfate
PubChem CID87451931
Molecular FormulaC2HF3O4S
Molecular Weight178.09 g/mol
Exact Mass177.95
IUPAC Name1,2,2-trifluoroethenyl hydrogen sulfate
SMILESO=S(=O)(O)OC(F)=C(F)F
InChIInChI=1S/C2HF3O4S/c3-1(4)2(5)9-10(6,7)8/h(H,6,7,8)
InChIKeyJZTTXCSWXBBEOE-UHFFFAOYSA-N
XLogP0.84
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.09
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

phosphane;sulfuric acid;zirconium
CID 174478235
disulfo carbonate;bis(λ2-plumbane)
CID 173043440
tetralithium;disulfo carbonate;hydride
CID 174843261
CID 159180001
CID 159180001
lanthanum;sulfurofluoridic acid
CID 173300480
fluoro hydrogen sulfate;zinc
CID 173138204
zinc sulfo carbonate
CID 23463769
dicalcium;disulfo carbonate;hydride;zinc
CID 174696696
dicalcium;disulfo carbonate;hydride;manganese
CID 175398142
4-(1,2,2-trifluoroethenoxy)butane-1-sulfonic acid
CID 175028087
difluoromethane;sulfuryl difluoride;1,1,2-trifluoro-2-(fluoromethoxy)ethene
CID 159307063
1,1,2,2,2-pentasulfooxyethyl hydrogen sulfate
CID 118489560

Frequently Asked Questions

What is the IUPAC name of 1,2,2-trifluoroethenyl hydrogen sulfate?
The IUPAC name of 1,2,2-trifluoroethenyl hydrogen sulfate (CID 87451931) is 1,2,2-trifluoroethenyl hydrogen sulfate.
What is the SMILES notation for 1,2,2-trifluoroethenyl hydrogen sulfate?
The canonical SMILES for 1,2,2-trifluoroethenyl hydrogen sulfate is O=S(=O)(O)OC(F)=C(F)F.
What is the InChIKey of 1,2,2-trifluoroethenyl hydrogen sulfate?
The InChIKey is JZTTXCSWXBBEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HF3O4S/c3-1(4)2(5)9-10(6,7)8/h(H,6,7,8).
What are the key properties of 1,2,2-trifluoroethenyl hydrogen sulfate?
1,2,2-trifluoroethenyl hydrogen sulfate has a molecular weight of 178.09 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2-trifluoroethenyl hydrogen sulfate is sourced from PubChem (CID 87451931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).