Potassium 2,2,3,3-tetrafluoropropanoate

CAS Number: 71592-16-0
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[O-]C(C(C(F)F)(F)F)=O.[K+]
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
K.C3HO2F4
Molecular Weight
145.031
Drug-likeness
-25.661
CAS
71592-16-0
InChI key
JCMUVGLPXQXZFM-UHFFFAOYSA-M
SMILES
[O-]C(C(C(F)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 71592-16-0
Molecule Name Potassium 2,2,3,3-tetrafluoropropanoate
Molecular Formula K.C3HO2F4
SMILES [O-]C(C(C(F)F)(F)F)=O.[K+]
InChI InChI=1S/C3H2F4O2.K/c4-1(5)3(6,7)2(8)9;/h1H,(H,8,9);/q;+1/p-1
InChI Key JCMUVGLPXQXZFM-UHFFFAOYSA-M
CanonicalSyTyLFy 1276add211e2cced
TotalMolweight 184.129
Molecular Weight 145.031
MonoisotopicMass 144.991267
CLogP -1.8983
CLogS -1.648
H Acceptors 2
TotalSurfaceArea 87.09
Relative PSA 0.3137
PolarSurfaceArea 40.13
Drug-likeness -25.661
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.55556
Molecula Flexibility 0.82878
Molecular Complexity 0.7083
Fragments 2
Non HAtoms 9
NonCHAtoms 6
Electronegative Atoms 6
Rotatable Bond 2
Sp3Atoms 3
Symmetricatoms 2
AcidicOxygens 1

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