nickel;prop-2-enyl 2,2,2-trifluoroacetate

C5H5F3NiO2 — CID 88780784

IUPACnickel;prop-2-enyl 2,2,2-trifluoroacetate
SMILESC=CCOC(=O)C(F)(F)F.[Ni]
InChIInChI=1S/C5H5F3O2.Ni/c1-2-3-10-4(9)5(6,7)8;/h2H,1,3H2;
InChIKeyMKCFRSPFEHIFML-UHFFFAOYSA-N
MW212.78 g/mol
LogP1.28
Rot. Bonds2

About nickel;prop-2-enyl 2,2,2-trifluoroacetate

nickel;prop-2-enyl 2,2,2-trifluoroacetate (PubChem CID 88780784) has the molecular formula C5H5F3NiO2 and a molecular weight of 212.78 g/mol. Its IUPAC name is nickel;prop-2-enyl 2,2,2-trifluoroacetate.

Molecular Properties

Compound Namenickel;prop-2-enyl 2,2,2-trifluoroacetate
PubChem CID88780784
Molecular FormulaC5H5F3NiO2
Molecular Weight212.78 g/mol
Exact Mass211.96
IUPAC Namenickel;prop-2-enyl 2,2,2-trifluoroacetate
SMILESC=CCOC(=O)C(F)(F)F.[Ni]
InChIInChI=1S/C5H5F3O2.Ni/c1-2-3-10-4(9)5(6,7)8;/h2H,1,3H2;
InChIKeyMKCFRSPFEHIFML-UHFFFAOYSA-N
XLogP1.28
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.78
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

palladium;prop-2-enyl 2,2,2-trifluoroacetate
CID 175036312
prop-2-enyl 2-chloro-3,3,3-trifluoro-2-methylpropanoate
CID 87523010
prop-2-enyl 2,3,3,3-tetrafluoro-2-(1,1,3,3,3-pentafluoro-2-oxopropoxy)propanoate
CID 88513511
prop-2-enyl 2,2-bis(prop-2-enyl)pent-4-enoate
CID 87234106
bis(prop-2-enyl) 2-(aminooxymethyl)-2-methylpropanedioate
CID 121263061
prop-2-enyl 2-chloro-2-methylpropanoate
CID 21285838
aminomethyl 2,2,2-trifluoroacetate
CID 59001854
prop-2-enyl 2,2-dimethylbutanoate
CID 18714422
1-O-ethyl 4-O-prop-2-enyl 2,2,3,3-tetramethylbutanedioate
CID 59122625
prop-2-enyl 2,2-dibromobutanoate
CID 88675636
bis(prop-2-enyl) carbonate;ethene
CID 87465968
prop-2-enyl 2,2-dimethyl-4-oxobutanoate
CID 163211524

Frequently Asked Questions

What is the IUPAC name of nickel;prop-2-enyl 2,2,2-trifluoroacetate?
The IUPAC name of nickel;prop-2-enyl 2,2,2-trifluoroacetate (CID 88780784) is nickel;prop-2-enyl 2,2,2-trifluoroacetate.
What is the SMILES notation for nickel;prop-2-enyl 2,2,2-trifluoroacetate?
The canonical SMILES for nickel;prop-2-enyl 2,2,2-trifluoroacetate is C=CCOC(=O)C(F)(F)F.[Ni].
What is the InChIKey of nickel;prop-2-enyl 2,2,2-trifluoroacetate?
The InChIKey is MKCFRSPFEHIFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3O2.Ni/c1-2-3-10-4(9)5(6,7)8;/h2H,1,3H2;.
What are the key properties of nickel;prop-2-enyl 2,2,2-trifluoroacetate?
nickel;prop-2-enyl 2,2,2-trifluoroacetate has a molecular weight of 212.78 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for nickel;prop-2-enyl 2,2,2-trifluoroacetate is sourced from PubChem (CID 88780784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).