dilithium;hydride;2,2,2-trichloroacetic acid

C2H3Cl3Li2O2 — CID 175045504

IUPACdilithium;hydride;2,2,2-trichloroacetic acid
SMILESO=C(O)C(Cl)(Cl)Cl.[H-].[H-].[Li+].[Li+]
InChIInChI=1S/C2HCl3O2.2Li.2H/c3-2(4,5)1(6)7;;;;/h(H,6,7);;;;/q;2*+1;2*-1
InChIKeyWSQCIJFUKDNUOW-UHFFFAOYSA-N
MW179.29 g/mol
LogP-4.33
Rot. Bonds

About dilithium;hydride;2,2,2-trichloroacetic acid

dilithium;hydride;2,2,2-trichloroacetic acid (PubChem CID 175045504) has the molecular formula C2H3Cl3Li2O2 and a molecular weight of 179.29 g/mol. Its IUPAC name is dilithium;hydride;2,2,2-trichloroacetic acid.

Molecular Properties

Compound Namedilithium;hydride;2,2,2-trichloroacetic acid
PubChem CID175045504
Molecular FormulaC2H3Cl3Li2O2
Molecular Weight179.29 g/mol
Exact Mass177.95
IUPAC Namedilithium;hydride;2,2,2-trichloroacetic acid
SMILESO=C(O)C(Cl)(Cl)Cl.[H-].[H-].[Li+].[Li+]
InChIInChI=1S/C2HCl3O2.2Li.2H/c3-2(4,5)1(6)7;;;;/h(H,6,7);;;;/q;2*+1;2*-1
InChIKeyWSQCIJFUKDNUOW-UHFFFAOYSA-N
XLogP-4.33
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.29
LogP ≤ 5-4.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tetramethylazanium;2,2,2-trichloroacetic acid
CID 19752148
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propan-2-ylsilane;2,2,2-trichloroacetic acid
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magnesium;2-chloro-2,2-difluoroacetic acid;hydride
CID 173148717
1-(1-hydroxyethylamino)ethanol;2,2,2-trichloroacetic acid
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CID 6330354
CID 6330354
2,2-dichloro-2-fluoroacetic acid;silver
CID 88843250
CID 87918969
CID 87918969
azane;2,2,2-trichloroacetyl chloride
CID 174960688
2-bromo-2-chloropropanoic acid
CID 523004
3,3,3-trichloro-2,2-dihydroxypropanoic acid
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Frequently Asked Questions

What is the IUPAC name of dilithium;hydride;2,2,2-trichloroacetic acid?
The IUPAC name of dilithium;hydride;2,2,2-trichloroacetic acid (CID 175045504) is dilithium;hydride;2,2,2-trichloroacetic acid.
What is the SMILES notation for dilithium;hydride;2,2,2-trichloroacetic acid?
The canonical SMILES for dilithium;hydride;2,2,2-trichloroacetic acid is O=C(O)C(Cl)(Cl)Cl.[H-].[H-].[Li+].[Li+].
What is the InChIKey of dilithium;hydride;2,2,2-trichloroacetic acid?
The InChIKey is WSQCIJFUKDNUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HCl3O2.2Li.2H/c3-2(4,5)1(6)7;;;;/h(H,6,7);;;;/q;2*+1;2*-1.
What are the key properties of dilithium;hydride;2,2,2-trichloroacetic acid?
dilithium;hydride;2,2,2-trichloroacetic acid has a molecular weight of 179.29 g/mol, XLogP of -4.33, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;hydride;2,2,2-trichloroacetic acid is sourced from PubChem (CID 175045504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).