CID 85392225

C6H3F9O6Tl — CID 85392225

IUPAC—
SMILESO=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.[Tl]
InChIInChI=1S/3C2HF3O2.Tl/c3*3-2(4,5)1(6)7;/h3*(H,6,7);
InChIKeyBHMQGSAKDOBCKP-UHFFFAOYSA-N
MW546.45 g/mol
LogP1.52
Rot. Bonds

About CID 85392225

CID 85392225 (PubChem CID 85392225) has the molecular formula C6H3F9O6Tl and a molecular weight of 546.45 g/mol.

Molecular Properties

Compound NameCID 85392225
PubChem CID85392225
Molecular FormulaC6H3F9O6Tl
Molecular Weight546.45 g/mol
Exact Mass546.95
IUPAC Name—
SMILESO=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.[Tl]
InChIInChI=1S/3C2HF3O2.Tl/c3*3-2(4,5)1(6)7;/h3*(H,6,7);
InChIKeyBHMQGSAKDOBCKP-UHFFFAOYSA-N
XLogP1.52
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.45
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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2,2,2-trifluoroacetic acid;trihydrofluoride
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sulfanium 2,2,2-trifluoroacetic acid
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bis(oxygen(2-));titanium(4+);2,2,2-trifluoroacetic acid
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magnesium;hydride;tris(2,2,2-trifluoroacetic acid)
CID 173424393
magnesium;hydride;bis(2,2,2-trifluoroacetic acid)
CID 173420344
oxophosphanium;2,2,2-trifluoroacetic acid
CID 175810301
copper;2,2,2-trifluoroacetic acid;tetrahydrate
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CID 175908128
CID 175908128

Frequently Asked Questions

What is the IUPAC name of CID 85392225?
The IUPAC name of CID 85392225 (CID 85392225) is not available.
What is the SMILES notation for CID 85392225?
The canonical SMILES for CID 85392225 is O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.[Tl].
What is the InChIKey of CID 85392225?
The InChIKey is BHMQGSAKDOBCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/3C2HF3O2.Tl/c3*3-2(4,5)1(6)7;/h3*(H,6,7);.
What are the key properties of CID 85392225?
CID 85392225 has a molecular weight of 546.45 g/mol, XLogP of 1.52, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 85392225 is sourced from PubChem (CID 85392225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).