lithium 2-chloro-2,2-difluoroacetate

C2ClF2LiO2 — CID 23692262

IUPAClithium 2-chloro-2,2-difluoroacetate
SMILESO=C([O-])C(F)(F)Cl.[Li+]
InChIInChI=1S/C2HClF2O2.Li/c3-2(4,5)1(6)7;/h(H,6,7);/q;+1/p-1
InChIKeyJCMWDCHCBBLWEV-UHFFFAOYSA-M
MW136.41 g/mol
LogP-3.43
Rot. Bonds1

About lithium 2-chloro-2,2-difluoroacetate

lithium 2-chloro-2,2-difluoroacetate (PubChem CID 23692262) has the molecular formula C2ClF2LiO2 and a molecular weight of 136.41 g/mol. Its IUPAC name is lithium 2-chloro-2,2-difluoroacetate.

Molecular Properties

Compound Namelithium 2-chloro-2,2-difluoroacetate
PubChem CID23692262
Molecular FormulaC2ClF2LiO2
Molecular Weight136.41 g/mol
Exact Mass135.97
IUPAC Namelithium 2-chloro-2,2-difluoroacetate
SMILESO=C([O-])C(F)(F)Cl.[Li+]
InChIInChI=1S/C2HClF2O2.Li/c3-2(4,5)1(6)7;/h(H,6,7);/q;+1/p-1
InChIKeyJCMWDCHCBBLWEV-UHFFFAOYSA-M
XLogP-3.43
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.41
LogP ≤ 5-3.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium 2-chloro-2,2-difluoroacetate?
The IUPAC name of lithium 2-chloro-2,2-difluoroacetate (CID 23692262) is lithium 2-chloro-2,2-difluoroacetate.
What is the SMILES notation for lithium 2-chloro-2,2-difluoroacetate?
The canonical SMILES for lithium 2-chloro-2,2-difluoroacetate is O=C([O-])C(F)(F)Cl.[Li+].
What is the InChIKey of lithium 2-chloro-2,2-difluoroacetate?
The InChIKey is JCMWDCHCBBLWEV-UHFFFAOYSA-M. The full InChI is InChI=1S/C2HClF2O2.Li/c3-2(4,5)1(6)7;/h(H,6,7);/q;+1/p-1.
What are the key properties of lithium 2-chloro-2,2-difluoroacetate?
lithium 2-chloro-2,2-difluoroacetate has a molecular weight of 136.41 g/mol, XLogP of -3.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-chloro-2,2-difluoroacetate is sourced from PubChem (CID 23692262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).