trilithium;difluoro 2,2-difluoropropanedioate;phosphate

C3F4Li3O8P — CID 172792476

IUPACtrilithium;difluoro 2,2-difluoropropanedioate;phosphate
SMILESO=C(OF)C(F)(F)C(=O)OF.O=P([O-])([O-])[O-].[Li+].[Li+].[Li+]
InChIInChI=1S/C3F4O4.3Li.H3O4P/c4-3(5,1(8)10-6)2(9)11-7;;;;1-5(2,3)4/h;;;;(H3,1,2,3,4)/q;3*+1;/p-3
InChIKeyPTIFKMDOIVOVMQ-UHFFFAOYSA-K
MW291.81 g/mol
LogP-11.34
Rot. Bonds2

About trilithium;difluoro 2,2-difluoropropanedioate;phosphate

trilithium;difluoro 2,2-difluoropropanedioate;phosphate (PubChem CID 172792476) has the molecular formula C3F4Li3O8P and a molecular weight of 291.81 g/mol. Its IUPAC name is trilithium;difluoro 2,2-difluoropropanedioate;phosphate.

Molecular Properties

Compound Nametrilithium;difluoro 2,2-difluoropropanedioate;phosphate
PubChem CID172792476
Molecular FormulaC3F4Li3O8P
Molecular Weight291.81 g/mol
Exact Mass291.97
IUPAC Nametrilithium;difluoro 2,2-difluoropropanedioate;phosphate
SMILESO=C(OF)C(F)(F)C(=O)OF.O=P([O-])([O-])[O-].[Li+].[Li+].[Li+]
InChIInChI=1S/C3F4O4.3Li.H3O4P/c4-3(5,1(8)10-6)2(9)11-7;;;;1-5(2,3)4/h;;;;(H3,1,2,3,4)/q;3*+1;/p-3
InChIKeyPTIFKMDOIVOVMQ-UHFFFAOYSA-K
XLogP-11.34
TPSA138.85 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.81
LogP ≤ 5-11.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

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(2,2,2-trifluoroacetyl) phosphate
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lithium fluoro carbonate
CID 175046605
difluoro 2,2-dichloro-3,3-difluorobutanedioate
CID 174892159
lithium;3-bis[(2-carboxy-2,2-difluoroacetyl)oxy]phosphoryloxy-2,2-difluoro-3-oxopropanoic acid;hydride
CID 174143699
lithium;dihydrogen phosphate;dihydrate
CID 162740177
trilithium;phosphoric acid;phosphate
CID 158468021
lithium;dihydrogen phosphate;hydrate
CID 162740181
2-fluoro-3-fluorooxy-2-methyl-3-oxopropanoic acid
CID 150240323
lithium;hafnium(4+);phosphate
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trilithium;iron(3+);diphosphate
CID 102600810

Frequently Asked Questions

What is the IUPAC name of trilithium;difluoro 2,2-difluoropropanedioate;phosphate?
The IUPAC name of trilithium;difluoro 2,2-difluoropropanedioate;phosphate (CID 172792476) is trilithium;difluoro 2,2-difluoropropanedioate;phosphate.
What is the SMILES notation for trilithium;difluoro 2,2-difluoropropanedioate;phosphate?
The canonical SMILES for trilithium;difluoro 2,2-difluoropropanedioate;phosphate is O=C(OF)C(F)(F)C(=O)OF.O=P([O-])([O-])[O-].[Li+].[Li+].[Li+].
What is the InChIKey of trilithium;difluoro 2,2-difluoropropanedioate;phosphate?
The InChIKey is PTIFKMDOIVOVMQ-UHFFFAOYSA-K. The full InChI is InChI=1S/C3F4O4.3Li.H3O4P/c4-3(5,1(8)10-6)2(9)11-7;;;;1-5(2,3)4/h;;;;(H3,1,2,3,4)/q;3*+1;/p-3.
What are the key properties of trilithium;difluoro 2,2-difluoropropanedioate;phosphate?
trilithium;difluoro 2,2-difluoropropanedioate;phosphate has a molecular weight of 291.81 g/mol, XLogP of -11.34, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for trilithium;difluoro 2,2-difluoropropanedioate;phosphate is sourced from PubChem (CID 172792476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).