Potassium trifluoroacetate

CAS Number: 2923-16-2
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[O-]C(C(F)(F)F)=O.[K+]
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
K.C2O2F3
Molecular Weight
113.014
Drug-likeness
-32.911
CAS
2923-16-2
InChI key
CUNPJFGIODEJLQ-UHFFFAOYSA-M
SMILES
[O-]C(C(F)(F)F)=O.[K+]
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 2923-16-2
Molecule Name Potassium trifluoroacetate
Molecular Formula K.C2O2F3
SMILES [O-]C(C(F)(F)F)=O.[K+]
InChI InChI=1S/C2HF3O2.K/c3-2(4,5)1(6)7;/h(H,6,7);/q;+1/p-1
InChI Key CUNPJFGIODEJLQ-UHFFFAOYSA-M
CanonicalSyTyLFy d74cf78b130f3280
TotalMolweight 152.112
Molecular Weight 113.014
MonoisotopicMass 112.985039
CLogP -1.8908
CLogS -1.199
H Acceptors 2
TotalSurfaceArea 68.24
Relative PSA 0.40035
PolarSurfaceArea 40.13
Drug-likeness -32.911
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.57143
Molecula Flexibility 0.7761
Molecular Complexity 0.76753
Fragments 2
Non HAtoms 7
NonCHAtoms 5
Electronegative Atoms 5
Rotatable Bond 1
Sp3Atoms 2
Symmetricatoms 2
AcidicOxygens 1

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