CID 174382590

C2H2F4O3S — CID 174382590

IUPAC—
SMILESFC(F)=C(F)F.[2H]S(=O)(=O)O
InChIInChI=1S/C2F4.H2O3S/c3-1(4)2(5)6;1-4(2)3/h;4H,(H,1,2,3)/i;4D
InChIKeyFYWVKUKIETYHNU-VZJQNQEBSA-N
MW183.10 g/mol
LogP1.06
Rot. Bonds

About CID 174382590

CID 174382590 (PubChem CID 174382590) has the molecular formula C2H2F4O3S and a molecular weight of 183.10 g/mol.

Molecular Properties

Compound NameCID 174382590
PubChem CID174382590
Molecular FormulaC2H2F4O3S
Molecular Weight183.10 g/mol
Exact Mass182.97
IUPAC Name—
SMILESFC(F)=C(F)F.[2H]S(=O)(=O)O
InChIInChI=1S/C2F4.H2O3S/c3-1(4)2(5)6;1-4(2)3/h;4H,(H,1,2,3)/i;4D
InChIKeyFYWVKUKIETYHNU-VZJQNQEBSA-N
XLogP1.06
TPSA54.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.10
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

Sulfurofluoridic acid;1,1,2,2-tetrafluoroethene
CID 87135437
Sulfuric acid;1,1,2,2-tetrafluoroethene
CID 87509376
1,1,1,2,2,2-Hexafluoroethane;hydrogen sulfite
CID 174475145
Hydrogen sulfite;1,1,2,2-tetrafluoroethene
CID 174544729
Sulfurous acid;1,1,2,2-tetrafluoroethene
CID 175224566

Frequently Asked Questions

What is the IUPAC name of CID 174382590?
The IUPAC name of CID 174382590 (CID 174382590) is not available.
What is the SMILES notation for CID 174382590?
The canonical SMILES for CID 174382590 is FC(F)=C(F)F.[2H]S(=O)(=O)O.
What is the InChIKey of CID 174382590?
The InChIKey is FYWVKUKIETYHNU-VZJQNQEBSA-N. The full InChI is InChI=1S/C2F4.H2O3S/c3-1(4)2(5)6;1-4(2)3/h;4H,(H,1,2,3)/i;4D.
What are the key properties of CID 174382590?
CID 174382590 has a molecular weight of 183.10 g/mol, XLogP of 1.06, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174382590 is sourced from PubChem (CID 174382590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).