lithium;2-chloro-2,2-difluoroacetic acid;hydride

C2H2ClF2LiO2 — CID 173193324

IUPAClithium;2-chloro-2,2-difluoroacetic acid;hydride
SMILESO=C(O)C(F)(F)Cl.[H-].[Li+]
InChIInChI=1S/C2HClF2O2.Li.H/c3-2(4,5)1(6)7;;/h(H,6,7);;/q;+1;-1
InChIKeyYEJGOVGNJQNPRZ-UHFFFAOYSA-N
MW138.43 g/mol
LogP-1.98
Rot. Bonds1

About lithium;2-chloro-2,2-difluoroacetic acid;hydride

lithium;2-chloro-2,2-difluoroacetic acid;hydride (PubChem CID 173193324) has the molecular formula C2H2ClF2LiO2 and a molecular weight of 138.43 g/mol. Its IUPAC name is lithium;2-chloro-2,2-difluoroacetic acid;hydride.

Molecular Properties

Compound Namelithium;2-chloro-2,2-difluoroacetic acid;hydride
PubChem CID173193324
Molecular FormulaC2H2ClF2LiO2
Molecular Weight138.43 g/mol
Exact Mass137.99
IUPAC Namelithium;2-chloro-2,2-difluoroacetic acid;hydride
SMILESO=C(O)C(F)(F)Cl.[H-].[Li+]
InChIInChI=1S/C2HClF2O2.Li.H/c3-2(4,5)1(6)7;;/h(H,6,7);;/q;+1;-1
InChIKeyYEJGOVGNJQNPRZ-UHFFFAOYSA-N
XLogP-1.98
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.43
LogP ≤ 5-1.98
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

magnesium;2-chloro-2,2-difluoroacetic acid;hydride
CID 173148717
CID 87918969
CID 87918969
dilithium;hydride;2,2,2-trichloroacetic acid
CID 175045504
2,2-dichloro-2-fluoroacetic acid;silver
CID 88843250
magnesium;hydride;tris(2,2,2-trifluoroacetic acid)
CID 173424393
magnesium;hydride;bis(2,2,2-trifluoroacetic acid)
CID 173420344
trichloromethylsilane;2,2,2-trifluoroacetic acid
CID 174914882
acetic acid;chloro(trifluoro)methane
CID 88651424
3,3,4,4,4-pentachloro-2,2-difluorobutanoic acid
CID 154364523
erbium;tris(2,2,2-trifluoroacetic acid)
CID 118855690
sulfanium 2,2,2-trifluoroacetic acid
CID 158048002
azane;pentakis(2,2,2-trifluoroacetic acid)
CID 174693543

Frequently Asked Questions

What is the IUPAC name of lithium;2-chloro-2,2-difluoroacetic acid;hydride?
The IUPAC name of lithium;2-chloro-2,2-difluoroacetic acid;hydride (CID 173193324) is lithium;2-chloro-2,2-difluoroacetic acid;hydride.
What is the SMILES notation for lithium;2-chloro-2,2-difluoroacetic acid;hydride?
The canonical SMILES for lithium;2-chloro-2,2-difluoroacetic acid;hydride is O=C(O)C(F)(F)Cl.[H-].[Li+].
What is the InChIKey of lithium;2-chloro-2,2-difluoroacetic acid;hydride?
The InChIKey is YEJGOVGNJQNPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HClF2O2.Li.H/c3-2(4,5)1(6)7;;/h(H,6,7);;/q;+1;-1.
What are the key properties of lithium;2-chloro-2,2-difluoroacetic acid;hydride?
lithium;2-chloro-2,2-difluoroacetic acid;hydride has a molecular weight of 138.43 g/mol, XLogP of -1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;2-chloro-2,2-difluoroacetic acid;hydride is sourced from PubChem (CID 173193324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).