cesium;potassium;2-chloro-2-fluoroacetic acid;hydride

C2H4ClCsFKO2 — CID 175155276

IUPACcesium;potassium;2-chloro-2-fluoroacetic acid;hydride
SMILESO=C(O)C(F)Cl.[Cs+].[H-].[H-].[K+]
InChIInChI=1S/C2H2ClFO2.Cs.K.2H/c3-1(4)2(5)6;;;;/h1H,(H,5,6);;;;/q;2*+1;2*-1
InChIKeyKQIKZPPXSFFNHR-UHFFFAOYSA-N
MW286.51 g/mol
LogP-5.16
Rot. Bonds1

About cesium;potassium;2-chloro-2-fluoroacetic acid;hydride

cesium;potassium;2-chloro-2-fluoroacetic acid;hydride (PubChem CID 175155276) has the molecular formula C2H4ClCsFKO2 and a molecular weight of 286.51 g/mol. Its IUPAC name is cesium;potassium;2-chloro-2-fluoroacetic acid;hydride.

Molecular Properties

Compound Namecesium;potassium;2-chloro-2-fluoroacetic acid;hydride
PubChem CID175155276
Molecular FormulaC2H4ClCsFKO2
Molecular Weight286.51 g/mol
Exact Mass285.86
IUPAC Namecesium;potassium;2-chloro-2-fluoroacetic acid;hydride
SMILESO=C(O)C(F)Cl.[Cs+].[H-].[H-].[K+]
InChIInChI=1S/C2H2ClFO2.Cs.K.2H/c3-1(4)2(5)6;;;;/h1H,(H,5,6);;;;/q;2*+1;2*-1
InChIKeyKQIKZPPXSFFNHR-UHFFFAOYSA-N
XLogP-5.16
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.51
LogP ≤ 5-5.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze cesium;potassium;2-chloro-2-fluoroacetic acid;hydride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

potassium;carbonic acid;chloroform;hydride
CID 173067298
(2S)-2-chloro-2-fluoroacetyl fluoride
CID 26985820
potassium;fluoro 2-chloro-2-fluoroacetate;hydride
CID 174388966
copper;2,2-difluoroacetic acid
CID 88507984
2,2-difluoroacetic acid;gallane
CID 173230413
2-amino-3-chloro-3-fluoropropanoic acid
CID 18523013
bis(2,2-dichloroacetic acid);dihydrochloride
CID 173211247
CID 123173257
CID 123173257
2-chloro-2-iodoacetic acid
CID 23426777
2,2-dichloroacetic acid;fluorophosphonic acid
CID 88775325
alumane;2-fluoropropanoic acid
CID 173229818
dipotassium;sodium;2,3-dihydroxybutanedioic acid;hydride
CID 173231446

Frequently Asked Questions

What is the IUPAC name of cesium;potassium;2-chloro-2-fluoroacetic acid;hydride?
The IUPAC name of cesium;potassium;2-chloro-2-fluoroacetic acid;hydride (CID 175155276) is cesium;potassium;2-chloro-2-fluoroacetic acid;hydride.
What is the SMILES notation for cesium;potassium;2-chloro-2-fluoroacetic acid;hydride?
The canonical SMILES for cesium;potassium;2-chloro-2-fluoroacetic acid;hydride is O=C(O)C(F)Cl.[Cs+].[H-].[H-].[K+].
What is the InChIKey of cesium;potassium;2-chloro-2-fluoroacetic acid;hydride?
The InChIKey is KQIKZPPXSFFNHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2ClFO2.Cs.K.2H/c3-1(4)2(5)6;;;;/h1H,(H,5,6);;;;/q;2*+1;2*-1.
What are the key properties of cesium;potassium;2-chloro-2-fluoroacetic acid;hydride?
cesium;potassium;2-chloro-2-fluoroacetic acid;hydride has a molecular weight of 286.51 g/mol, XLogP of -5.16, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cesium;potassium;2-chloro-2-fluoroacetic acid;hydride is sourced from PubChem (CID 175155276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).