lithium;boric acid;1,1,1,3,3,3-hexafluoropropan-2-olate

C3H4BF6LiO4 — CID 158113014

IUPAClithium;boric acid;1,1,1,3,3,3-hexafluoropropan-2-olate
SMILESOB(O)O.[Li+].[O-]C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C3HF6O.BH3O3.Li/c4-2(5,6)1(10)3(7,8)9;2-1(3)4;/h1H;2-4H;/q-1;;+1
InChIKeyFQQZOTPXBYDTDP-UHFFFAOYSA-N
MW235.80 g/mol
LogP-4.21
Rot. Bonds

About lithium;boric acid;1,1,1,3,3,3-hexafluoropropan-2-olate

lithium;boric acid;1,1,1,3,3,3-hexafluoropropan-2-olate (PubChem CID 158113014) has the molecular formula C3H4BF6LiO4 and a molecular weight of 235.80 g/mol. Its IUPAC name is lithium;boric acid;1,1,1,3,3,3-hexafluoropropan-2-olate.

Molecular Properties

Compound Namelithium;boric acid;1,1,1,3,3,3-hexafluoropropan-2-olate
PubChem CID158113014
Molecular FormulaC3H4BF6LiO4
Molecular Weight235.80 g/mol
Exact Mass236.03
IUPAC Namelithium;boric acid;1,1,1,3,3,3-hexafluoropropan-2-olate
SMILESOB(O)O.[Li+].[O-]C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C3HF6O.BH3O3.Li/c4-2(5,6)1(10)3(7,8)9;2-1(3)4;/h1H;2-4H;/q-1;;+1
InChIKeyFQQZOTPXBYDTDP-UHFFFAOYSA-N
XLogP-4.21
TPSA83.75 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.80
LogP ≤ 5-4.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

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dilithium;boric acid;hydrogen borate
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lithium;boric acid;dihydrogen borate
CID 172814782
1,1,1,3,3,3-hexafluoro-N,N-bis(1,1,1,3,3,3-hexafluoropropan-2-yl)propan-2-amine
CID 165176683
dopentacontalithium;boric acid;hydride
CID 173414806
lithium;strontium;boric acid;borate
CID 158794502
lithium;sodium;boric acid;hydrogen borate
CID 157067915
boric acid
CID 173080807
boric acid;tris(1,1,2-trifluoroethanol)
CID 175149497
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CID 175003537

Frequently Asked Questions

What is the IUPAC name of lithium;boric acid;1,1,1,3,3,3-hexafluoropropan-2-olate?
The IUPAC name of lithium;boric acid;1,1,1,3,3,3-hexafluoropropan-2-olate (CID 158113014) is lithium;boric acid;1,1,1,3,3,3-hexafluoropropan-2-olate.
What is the SMILES notation for lithium;boric acid;1,1,1,3,3,3-hexafluoropropan-2-olate?
The canonical SMILES for lithium;boric acid;1,1,1,3,3,3-hexafluoropropan-2-olate is OB(O)O.[Li+].[O-]C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of lithium;boric acid;1,1,1,3,3,3-hexafluoropropan-2-olate?
The InChIKey is FQQZOTPXBYDTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HF6O.BH3O3.Li/c4-2(5,6)1(10)3(7,8)9;2-1(3)4;/h1H;2-4H;/q-1;;+1.
What are the key properties of lithium;boric acid;1,1,1,3,3,3-hexafluoropropan-2-olate?
lithium;boric acid;1,1,1,3,3,3-hexafluoropropan-2-olate has a molecular weight of 235.80 g/mol, XLogP of -4.21, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;boric acid;1,1,1,3,3,3-hexafluoropropan-2-olate is sourced from PubChem (CID 158113014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).