oxygen(2-);titanium(4+);2,2,2-trifluoroacetate

C2F3O3Ti+ — CID 157418814

IUPACoxygen(2-);titanium(4+);2,2,2-trifluoroacetate
SMILESO=C([O-])C(F)(F)F.[O-2].[Ti+4]
InChIInChI=1S/C2HF3O2.O.Ti/c3-2(4,5)1(6)7;;/h(H,6,7);;/q;-2;+4/p-1
InChIKeyBPDZLUHIRYAMHV-UHFFFAOYSA-M
MW176.88 g/mol
LogP-0.82
Rot. Bonds

About oxygen(2-);titanium(4+);2,2,2-trifluoroacetate

oxygen(2-);titanium(4+);2,2,2-trifluoroacetate (PubChem CID 157418814) has the molecular formula C2F3O3Ti+ and a molecular weight of 176.88 g/mol. Its IUPAC name is oxygen(2-);titanium(4+);2,2,2-trifluoroacetate.

Molecular Properties

Compound Nameoxygen(2-);titanium(4+);2,2,2-trifluoroacetate
PubChem CID157418814
Molecular FormulaC2F3O3Ti+
Molecular Weight176.88 g/mol
Exact Mass176.93
IUPAC Nameoxygen(2-);titanium(4+);2,2,2-trifluoroacetate
SMILESO=C([O-])C(F)(F)F.[O-2].[Ti+4]
InChIInChI=1S/C2HF3O2.O.Ti/c3-2(4,5)1(6)7;;/h(H,6,7);;/q;-2;+4/p-1
InChIKeyBPDZLUHIRYAMHV-UHFFFAOYSA-M
XLogP-0.82
TPSA68.63 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.88
LogP ≤ 5-0.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

samarium;bis(2,2,2-trifluoroacetate)
CID 22462012
magnesium bis(2,2,2-trifluoroacetate)
CID 11139550
zinc 2,2,2-trifluoroacetate
CID 22604677
sodium 2,2,2-trifluoroacetate
CID 517019
iodanium;silver;bis(2,2,2-trifluoroacetate)
CID 158821992
sodium;2,2,2-trifluoroacetate;hydrate
CID 141088528
copper(1+);2,2,2-trifluoroacetate;tetrahydrate
CID 175128505
2,2,2-trifluoroacetate acetate
CID 19379527
copper;barium(2+);gadolinium(3+);heptakis(2,2,2-trifluoroacetate)
CID 174678543
lithium;boric acid;2,2,2-trifluoroacetate
CID 159468247
potassium;phosphoric acid;2,2,2-trifluoroacetate
CID 175199303
carbamoylazanium;2,2,2-trifluoroacetate
CID 139614468

Frequently Asked Questions

What is the IUPAC name of oxygen(2-);titanium(4+);2,2,2-trifluoroacetate?
The IUPAC name of oxygen(2-);titanium(4+);2,2,2-trifluoroacetate (CID 157418814) is oxygen(2-);titanium(4+);2,2,2-trifluoroacetate.
What is the SMILES notation for oxygen(2-);titanium(4+);2,2,2-trifluoroacetate?
The canonical SMILES for oxygen(2-);titanium(4+);2,2,2-trifluoroacetate is O=C([O-])C(F)(F)F.[O-2].[Ti+4].
What is the InChIKey of oxygen(2-);titanium(4+);2,2,2-trifluoroacetate?
The InChIKey is BPDZLUHIRYAMHV-UHFFFAOYSA-M. The full InChI is InChI=1S/C2HF3O2.O.Ti/c3-2(4,5)1(6)7;;/h(H,6,7);;/q;-2;+4/p-1.
What are the key properties of oxygen(2-);titanium(4+);2,2,2-trifluoroacetate?
oxygen(2-);titanium(4+);2,2,2-trifluoroacetate has a molecular weight of 176.88 g/mol, XLogP of -0.82, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxygen(2-);titanium(4+);2,2,2-trifluoroacetate is sourced from PubChem (CID 157418814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).