lithium;2,2-difluoroacetic acid;dihydrogen borate

C2H4BF2LiO5 — CID 175921044

IUPAClithium;2,2-difluoroacetic acid;dihydrogen borate
SMILESO=C(O)C(F)F.[Li+].[O-]B(O)O
InChIInChI=1S/C2H2F2O2.BH2O3.Li/c3-1(4)2(5)6;2-1(3)4;/h1H,(H,5,6);2-3H;/q;-1;+1
InChIKeyVCFJHPHAIBAMNO-UHFFFAOYSA-N
MW163.80 g/mol
LogP-5.34
Rot. Bonds1

About lithium;2,2-difluoroacetic acid;dihydrogen borate

lithium;2,2-difluoroacetic acid;dihydrogen borate (PubChem CID 175921044) has the molecular formula C2H4BF2LiO5 and a molecular weight of 163.80 g/mol. Its IUPAC name is lithium;2,2-difluoroacetic acid;dihydrogen borate.

Molecular Properties

Compound Namelithium;2,2-difluoroacetic acid;dihydrogen borate
PubChem CID175921044
Molecular FormulaC2H4BF2LiO5
Molecular Weight163.80 g/mol
Exact Mass164.03
IUPAC Namelithium;2,2-difluoroacetic acid;dihydrogen borate
SMILESO=C(O)C(F)F.[Li+].[O-]B(O)O
InChIInChI=1S/C2H2F2O2.BH2O3.Li/c3-1(4)2(5)6;2-1(3)4;/h1H,(H,5,6);2-3H;/q;-1;+1
InChIKeyVCFJHPHAIBAMNO-UHFFFAOYSA-N
XLogP-5.34
TPSA100.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.80
LogP ≤ 5-5.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

trilithium;2,2-difluoroacetic acid;oxalic acid;borate
CID 174747516
2,2-difluoroacetic acid;gallane
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copper;2,2-difluoroacetic acid
CID 88507984
lithium dihydrogen borate
CID 71774814
trilithium;oxalic acid;tris(2,3,3,3-tetrafluoropropanoic acid);borate
CID 173154493
lithium;dihydrogen borate;bis(2-prop-2-enylpropanedioic acid)
CID 175964923
lithium;dihydrogen borate;bis(2-fluoro-2-methylpropanedioic acid)
CID 175720054
lithium;boric acid;dihydrogen borate
CID 172814782
lithium;dihydrogen borate;hydrate
CID 172763573
2-bis[carboxy(fluoro)methyl]boranyl-2-fluoroacetic acid
CID 57317427
2,2-difluoroacetic acid;prop-1-yne
CID 175526677
sodium;dihydrogen borate;bis(propanedioic acid)
CID 160825779

Frequently Asked Questions

What is the IUPAC name of lithium;2,2-difluoroacetic acid;dihydrogen borate?
The IUPAC name of lithium;2,2-difluoroacetic acid;dihydrogen borate (CID 175921044) is lithium;2,2-difluoroacetic acid;dihydrogen borate.
What is the SMILES notation for lithium;2,2-difluoroacetic acid;dihydrogen borate?
The canonical SMILES for lithium;2,2-difluoroacetic acid;dihydrogen borate is O=C(O)C(F)F.[Li+].[O-]B(O)O.
What is the InChIKey of lithium;2,2-difluoroacetic acid;dihydrogen borate?
The InChIKey is VCFJHPHAIBAMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2F2O2.BH2O3.Li/c3-1(4)2(5)6;2-1(3)4;/h1H,(H,5,6);2-3H;/q;-1;+1.
What are the key properties of lithium;2,2-difluoroacetic acid;dihydrogen borate?
lithium;2,2-difluoroacetic acid;dihydrogen borate has a molecular weight of 163.80 g/mol, XLogP of -5.34, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;2,2-difluoroacetic acid;dihydrogen borate is sourced from PubChem (CID 175921044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).