chloro 2,2-dichloroacetate;hydride;rubidium(1+)

C2H2Cl3O2Rb — CID 173369816

IUPACchloro 2,2-dichloroacetate;hydride;rubidium(1+)
SMILESO=C(OCl)C(Cl)Cl.[H-].[Rb+]
InChIInChI=1S/C2HCl3O2.Rb.H/c3-1(4)2(6)7-5;;/h1H;;/q;+1;-1
InChIKeyOSHKXMSXUQMDOF-UHFFFAOYSA-N
MW249.86 g/mol
LogP-1.40
Rot. Bonds1

About chloro 2,2-dichloroacetate;hydride;rubidium(1+)

chloro 2,2-dichloroacetate;hydride;rubidium(1+) (PubChem CID 173369816) has the molecular formula C2H2Cl3O2Rb and a molecular weight of 249.86 g/mol. Its IUPAC name is chloro 2,2-dichloroacetate;hydride;rubidium(1+).

Molecular Properties

Compound Namechloro 2,2-dichloroacetate;hydride;rubidium(1+)
PubChem CID173369816
Molecular FormulaC2H2Cl3O2Rb
Molecular Weight249.86 g/mol
Exact Mass247.82
IUPAC Namechloro 2,2-dichloroacetate;hydride;rubidium(1+)
SMILESO=C(OCl)C(Cl)Cl.[H-].[Rb+]
InChIInChI=1S/C2HCl3O2.Rb.H/c3-1(4)2(6)7-5;;/h1H;;/q;+1;-1
InChIKeyOSHKXMSXUQMDOF-UHFFFAOYSA-N
XLogP-1.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.86
LogP ≤ 5-1.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2,2-dichloroacetyl)oxycarbonyl 2,2-dichloroacetate
CID 87197382
chloro 2-(carbamoylamino)-2-chloroacetate
CID 174668904
calcium;chloro hydrogen carbonate;hydride
CID 174258358
disodium;chloro hydrogen carbonate;hydride
CID 174295401
1-chloropropyl 2,2-dichloroacetate
CID 13030332
2,2-dimethylpropyl 2,2-dichloroacetate
CID 545775
chloro (2S,3S)-2-amino-3-methylpentanoate
CID 87588492
5-methylhex-1-en-3-yl 2,2-dichloroacetate
CID 102323553
3-methylbut-2-enyl 2,2-dichloroacetate
CID 11138055
1-O-chloro 4-O-methyl 2-methyl-3-oxobutanedioate
CID 174942063
8-chlorooctyl 2,2-dichloroacetate
CID 13031329
potassium;fluoro 2-chloro-2-fluoroacetate;hydride
CID 174388966

Frequently Asked Questions

What is the IUPAC name of chloro 2,2-dichloroacetate;hydride;rubidium(1+)?
The IUPAC name of chloro 2,2-dichloroacetate;hydride;rubidium(1+) (CID 173369816) is chloro 2,2-dichloroacetate;hydride;rubidium(1+).
What is the SMILES notation for chloro 2,2-dichloroacetate;hydride;rubidium(1+)?
The canonical SMILES for chloro 2,2-dichloroacetate;hydride;rubidium(1+) is O=C(OCl)C(Cl)Cl.[H-].[Rb+].
What is the InChIKey of chloro 2,2-dichloroacetate;hydride;rubidium(1+)?
The InChIKey is OSHKXMSXUQMDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HCl3O2.Rb.H/c3-1(4)2(6)7-5;;/h1H;;/q;+1;-1.
What are the key properties of chloro 2,2-dichloroacetate;hydride;rubidium(1+)?
chloro 2,2-dichloroacetate;hydride;rubidium(1+) has a molecular weight of 249.86 g/mol, XLogP of -1.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloro 2,2-dichloroacetate;hydride;rubidium(1+) is sourced from PubChem (CID 173369816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).