tris(2,2,3,3,4,4-hexafluoropentanoate);indium(3+)

C15H9F18InO6 — CID 159937984

IUPACtris(2,2,3,3,4,4-hexafluoropentanoate);indium(3+)
SMILESCC(F)(F)C(F)(F)C(F)(F)C(=O)[O-].CC(F)(F)C(F)(F)C(F)(F)C(=O)[O-].CC(F)(F)C(F)(F)C(F)(F)C(=O)[O-].[In+3]
InChIInChI=1S/3C5H4F6O2.In/c3*1-3(6,7)5(10,11)4(8,9)2(12)13;/h3*1H3,(H,12,13);/q;;;+3/p-3
InChIKeyOAMSLWIVRFTTDI-UHFFFAOYSA-K
MW742.01 g/mol
LogP1.61
Rot. Bonds9

About tris(2,2,3,3,4,4-hexafluoropentanoate);indium(3+)

tris(2,2,3,3,4,4-hexafluoropentanoate);indium(3+) (PubChem CID 159937984) has the molecular formula C15H9F18InO6 and a molecular weight of 742.01 g/mol. Its IUPAC name is tris(2,2,3,3,4,4-hexafluoropentanoate);indium(3+).

Molecular Properties

Compound Nametris(2,2,3,3,4,4-hexafluoropentanoate);indium(3+)
PubChem CID159937984
Molecular FormulaC15H9F18InO6
Molecular Weight742.01 g/mol
Exact Mass741.92
IUPAC Nametris(2,2,3,3,4,4-hexafluoropentanoate);indium(3+)
SMILESCC(F)(F)C(F)(F)C(F)(F)C(=O)[O-].CC(F)(F)C(F)(F)C(F)(F)C(=O)[O-].CC(F)(F)C(F)(F)C(F)(F)C(=O)[O-].[In+3]
InChIInChI=1S/3C5H4F6O2.In/c3*1-3(6,7)5(10,11)4(8,9)2(12)13;/h3*1H3,(H,12,13);/q;;;+3/p-3
InChIKeyOAMSLWIVRFTTDI-UHFFFAOYSA-K
XLogP1.61
TPSA120.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500742.01
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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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
dipotassium;2,2,3,3-tetrafluorobutanedioate
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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
CID 71299621
CID 71299621
2,2,3,3,4,4-hexafluoro-4-(pentafluoro-λ6-sulfanyl)butanoate
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3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-icosafluorotridecan-2-one
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ethylazanium;2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-icosafluoro-10-(trifluoromethyl)undecanoate
CID 165363434
3-(2,2-dimethylpropanoyloxy)-2,2-difluoro-3-methylbutanoate
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sodium 2,2,3,3,4,4,7,7,7-nonafluoroheptanoate
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Frequently Asked Questions

What is the IUPAC name of tris(2,2,3,3,4,4-hexafluoropentanoate);indium(3+)?
The IUPAC name of tris(2,2,3,3,4,4-hexafluoropentanoate);indium(3+) (CID 159937984) is tris(2,2,3,3,4,4-hexafluoropentanoate);indium(3+).
What is the SMILES notation for tris(2,2,3,3,4,4-hexafluoropentanoate);indium(3+)?
The canonical SMILES for tris(2,2,3,3,4,4-hexafluoropentanoate);indium(3+) is CC(F)(F)C(F)(F)C(F)(F)C(=O)[O-].CC(F)(F)C(F)(F)C(F)(F)C(=O)[O-].CC(F)(F)C(F)(F)C(F)(F)C(=O)[O-].[In+3].
What is the InChIKey of tris(2,2,3,3,4,4-hexafluoropentanoate);indium(3+)?
The InChIKey is OAMSLWIVRFTTDI-UHFFFAOYSA-K. The full InChI is InChI=1S/3C5H4F6O2.In/c3*1-3(6,7)5(10,11)4(8,9)2(12)13;/h3*1H3,(H,12,13);/q;;;+3/p-3.
What are the key properties of tris(2,2,3,3,4,4-hexafluoropentanoate);indium(3+)?
tris(2,2,3,3,4,4-hexafluoropentanoate);indium(3+) has a molecular weight of 742.01 g/mol, XLogP of 1.61, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2,2,3,3,4,4-hexafluoropentanoate);indium(3+) is sourced from PubChem (CID 159937984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).