zinc bis(2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanoate)

C8F14O4Zn — CID 87694788

IUPACzinc bis(2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanoate)
SMILESO=C([O-])C(F)(C(F)(F)F)C(F)(F)F.O=C([O-])C(F)(C(F)(F)F)C(F)(F)F.[Zn+2]
InChIInChI=1S/2C4HF7O2.Zn/c2*5-2(1(12)13,3(6,7)8)4(9,10)11;/h2*(H,12,13);/q;;+2/p-2
InChIKeyBOFXGMKDYXQIOO-UHFFFAOYSA-L
MW491.45 g/mol
LogP1.14
Rot. Bonds2

About zinc bis(2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanoate)

zinc bis(2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanoate) (PubChem CID 87694788) has the molecular formula C8F14O4Zn and a molecular weight of 491.45 g/mol. Its IUPAC name is zinc bis(2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanoate).

Molecular Properties

Compound Namezinc bis(2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanoate)
PubChem CID87694788
Molecular FormulaC8F14O4Zn
Molecular Weight491.45 g/mol
Exact Mass489.89
IUPAC Namezinc bis(2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanoate)
SMILESO=C([O-])C(F)(C(F)(F)F)C(F)(F)F.O=C([O-])C(F)(C(F)(F)F)C(F)(F)F.[Zn+2]
InChIInChI=1S/2C4HF7O2.Zn/c2*5-2(1(12)13,3(6,7)8)4(9,10)11;/h2*(H,12,13);/q;;+2/p-2
InChIKeyBOFXGMKDYXQIOO-UHFFFAOYSA-L
XLogP1.14
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.45
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

potassium 2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanoate
CID 23684023
zinc 2,2,2-trifluoroacetate
CID 22604677
potassium 2-[[bis(trifluoromethyl)amino]-difluoromethyl]-2,3,3,3-tetrafluoropropanoate
CID 4271848
sodium 2,3,3,4,4,5,5,6,6,6-decafluoro-2-(1,1,2,2,2-pentafluoroethyl)hexanoate
CID 138396485
magnesium bis(2-chloro-2,2-difluoroacetate)
CID 87738116
samarium;bis(2,2,2-trifluoroacetate)
CID 22462012
magnesium bis(2,2,2-trifluoroacetate)
CID 11139550
sodium 2,2,2-trifluoroacetate
CID 517019
potassium 2-[difluoro-(2,2,3,3,4,4,5,5-octafluoropyrrolidin-1-yl)methyl]-2,3,3,3-tetrafluoropropanoate
CID 3767193
iodanium;silver;bis(2,2,2-trifluoroacetate)
CID 158821992
dipotassium;2,2,3,3-tetrafluorobutanedioate
CID 154632126
sodium;2,2,2-trifluoroacetate;hydrate
CID 141088528

Frequently Asked Questions

What is the IUPAC name of zinc bis(2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanoate)?
The IUPAC name of zinc bis(2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanoate) (CID 87694788) is zinc bis(2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanoate).
What is the SMILES notation for zinc bis(2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanoate)?
The canonical SMILES for zinc bis(2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanoate) is O=C([O-])C(F)(C(F)(F)F)C(F)(F)F.O=C([O-])C(F)(C(F)(F)F)C(F)(F)F.[Zn+2].
What is the InChIKey of zinc bis(2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanoate)?
The InChIKey is BOFXGMKDYXQIOO-UHFFFAOYSA-L. The full InChI is InChI=1S/2C4HF7O2.Zn/c2*5-2(1(12)13,3(6,7)8)4(9,10)11;/h2*(H,12,13);/q;;+2/p-2.
What are the key properties of zinc bis(2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanoate)?
zinc bis(2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanoate) has a molecular weight of 491.45 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for zinc bis(2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanoate) is sourced from PubChem (CID 87694788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).