1,1,2,2,2-pentafluoroethylmercury(1+);2,2,3,3,3-pentafluoropropanoate

C5F10HgO2 — CID 158462484

IUPAC1,1,2,2,2-pentafluoroethylmercury(1+);2,2,3,3,3-pentafluoropropanoate
SMILESFC(F)(F)C(F)(F)[Hg+].O=C([O-])C(F)(F)C(F)(F)F
InChIInChI=1S/C3HF5O2.C2F5.Hg/c4-2(5,1(9)10)3(6,7)8;3-1(4)2(5,6)7;/h(H,9,10);;/q;;+1/p-1
InChIKeyHFIRZRBLUYDFEW-UHFFFAOYSA-M
MW482.62 g/mol
LogP1.62
Rot. Bonds1

About 1,1,2,2,2-pentafluoroethylmercury(1+);2,2,3,3,3-pentafluoropropanoate

1,1,2,2,2-pentafluoroethylmercury(1+);2,2,3,3,3-pentafluoropropanoate (PubChem CID 158462484) has the molecular formula C5F10HgO2 and a molecular weight of 482.62 g/mol. Its IUPAC name is 1,1,2,2,2-pentafluoroethylmercury(1+);2,2,3,3,3-pentafluoropropanoate.

Molecular Properties

Compound Name1,1,2,2,2-pentafluoroethylmercury(1+);2,2,3,3,3-pentafluoropropanoate
PubChem CID158462484
Molecular FormulaC5F10HgO2
Molecular Weight482.62 g/mol
Exact Mass483.94
IUPAC Name1,1,2,2,2-pentafluoroethylmercury(1+);2,2,3,3,3-pentafluoropropanoate
SMILESFC(F)(F)C(F)(F)[Hg+].O=C([O-])C(F)(F)C(F)(F)F
InChIInChI=1S/C3HF5O2.C2F5.Hg/c4-2(5,1(9)10)3(6,7)8;3-1(4)2(5,6)7;/h(H,9,10);;/q;;+1/p-1
InChIKeyHFIRZRBLUYDFEW-UHFFFAOYSA-M
XLogP1.62
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.62
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

dipotassium;2,2,3,3-tetrafluorobutanedioate
CID 154632126
copper 2,2,3,3,4,4,5,5-octafluorohexanedioate
CID 175584674
dipotassium;2,2,3,3,4,4,5,5-octafluorohexanedioate
CID 71669306
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosafluorododecanoate
CID 22174013
1,1,2,2,2-pentafluoroethylmercury(1+)
CID 158462485
CID 71299621
CID 71299621
lithium 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosafluorododecanoate
CID 23704960
potassium 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoate
CID 4253803
2,2,3,3,4,4-hexafluoro-4-(pentafluoro-λ6-sulfanyl)butanoate
CID 171040270
samarium;bis(2,2,2-trifluoroacetate)
CID 22462012
magnesium bis(2,2,2-trifluoroacetate)
CID 11139550
zinc 2,2,2-trifluoroacetate
CID 22604677

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,2-pentafluoroethylmercury(1+);2,2,3,3,3-pentafluoropropanoate?
The IUPAC name of 1,1,2,2,2-pentafluoroethylmercury(1+);2,2,3,3,3-pentafluoropropanoate (CID 158462484) is 1,1,2,2,2-pentafluoroethylmercury(1+);2,2,3,3,3-pentafluoropropanoate.
What is the SMILES notation for 1,1,2,2,2-pentafluoroethylmercury(1+);2,2,3,3,3-pentafluoropropanoate?
The canonical SMILES for 1,1,2,2,2-pentafluoroethylmercury(1+);2,2,3,3,3-pentafluoropropanoate is FC(F)(F)C(F)(F)[Hg+].O=C([O-])C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,2-pentafluoroethylmercury(1+);2,2,3,3,3-pentafluoropropanoate?
The InChIKey is HFIRZRBLUYDFEW-UHFFFAOYSA-M. The full InChI is InChI=1S/C3HF5O2.C2F5.Hg/c4-2(5,1(9)10)3(6,7)8;3-1(4)2(5,6)7;/h(H,9,10);;/q;;+1/p-1.
What are the key properties of 1,1,2,2,2-pentafluoroethylmercury(1+);2,2,3,3,3-pentafluoropropanoate?
1,1,2,2,2-pentafluoroethylmercury(1+);2,2,3,3,3-pentafluoropropanoate has a molecular weight of 482.62 g/mol, XLogP of 1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,2-pentafluoroethylmercury(1+);2,2,3,3,3-pentafluoropropanoate is sourced from PubChem (CID 158462484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).