potassium;fluoro 2-chloro-2-fluoroacetate;hydride

C2H2ClF2KO2 — CID 174388966

IUPACpotassium;fluoro 2-chloro-2-fluoroacetate;hydride
SMILESO=C(OF)C(F)Cl.[H-].[K+]
InChIInChI=1S/C2HClF2O2.K.H/c3-1(4)2(6)7-5;;/h1H;;/q;+1;-1
InChIKeyRGUQBLGQNMLGLT-UHFFFAOYSA-N
MW170.58 g/mol
LogP-1.93
Rot. Bonds1

About potassium;fluoro 2-chloro-2-fluoroacetate;hydride

potassium;fluoro 2-chloro-2-fluoroacetate;hydride (PubChem CID 174388966) has the molecular formula C2H2ClF2KO2 and a molecular weight of 170.58 g/mol. Its IUPAC name is potassium;fluoro 2-chloro-2-fluoroacetate;hydride.

Molecular Properties

Compound Namepotassium;fluoro 2-chloro-2-fluoroacetate;hydride
PubChem CID174388966
Molecular FormulaC2H2ClF2KO2
Molecular Weight170.58 g/mol
Exact Mass169.93
IUPAC Namepotassium;fluoro 2-chloro-2-fluoroacetate;hydride
SMILESO=C(OF)C(F)Cl.[H-].[K+]
InChIInChI=1S/C2HClF2O2.K.H/c3-1(4)2(6)7-5;;/h1H;;/q;+1;-1
InChIKeyRGUQBLGQNMLGLT-UHFFFAOYSA-N
XLogP-1.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.58
LogP ≤ 5-1.93
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

potassium;fluoro 2-bromo-2-fluoroacetate;hydride
CID 175453203
cesium;potassium;2-chloro-2-fluoroacetic acid;hydride
CID 175155276
fluoro 2-deuterio-2,2-difluoroacetate
CID 20826380
(2S)-2-chloro-2-fluoroacetyl fluoride
CID 26985820
potassium;fluoro 2,2,3,3-tetrafluoropropanoate;hydride
CID 173393636
potassium;carbonic acid;chloroform;hydride
CID 173067298
2,2-difluoroacetamide
CID 2782321
fluoro 2-[di(propan-2-yl)amino]-2-fluoroacetate
CID 174491037
fluoro 2-bromo-3-methylbutanoate
CID 143459700
chloro 2,2-dichloroacetate;hydride;rubidium(1+)
CID 173369816
fluoro 2-fluorohexanoate;hydrochloride
CID 174751179
methyl (2S,3R)-2-chloro-3-fluorobutanoate
CID 124708312

Frequently Asked Questions

What is the IUPAC name of potassium;fluoro 2-chloro-2-fluoroacetate;hydride?
The IUPAC name of potassium;fluoro 2-chloro-2-fluoroacetate;hydride (CID 174388966) is potassium;fluoro 2-chloro-2-fluoroacetate;hydride.
What is the SMILES notation for potassium;fluoro 2-chloro-2-fluoroacetate;hydride?
The canonical SMILES for potassium;fluoro 2-chloro-2-fluoroacetate;hydride is O=C(OF)C(F)Cl.[H-].[K+].
What is the InChIKey of potassium;fluoro 2-chloro-2-fluoroacetate;hydride?
The InChIKey is RGUQBLGQNMLGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HClF2O2.K.H/c3-1(4)2(6)7-5;;/h1H;;/q;+1;-1.
What are the key properties of potassium;fluoro 2-chloro-2-fluoroacetate;hydride?
potassium;fluoro 2-chloro-2-fluoroacetate;hydride has a molecular weight of 170.58 g/mol, XLogP of -1.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;fluoro 2-chloro-2-fluoroacetate;hydride is sourced from PubChem (CID 174388966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).