Potassium [(1E)-dec-1-en-1-yl](trifluoro)borate(1-)

CAS Number: 479678-72-3
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CCCCCCCC/C=C/[B-](F)(F)F.[K+]
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
K.C10H19BF3
Molecular Weight
207.066
Drug-likeness
-32.051
CAS
479678-72-3
InChI key
SJPMLIRYZHTWRI-UHFFFAOYSA-N
SMILES
CCCCCCCC/C=C/[B-](F)(F)F.[K+]
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 479678-72-3
Molecule Name Potassium [(1E)-dec-1-en-1-yl](trifluoro)borate(1-)
Molecular Formula K.C10H19BF3
SMILES CCCCCCCC/C=C/[B-](F)(F)F.[K+]
InChI InChI=1S/C10H19BF3.K/c1-2-3-4-5-6-7-8-9-10-11(12,13)14;/h9-10H,2-8H2,1H3;/q-1;+1
InChI Key SJPMLIRYZHTWRI-UHFFFAOYSA-N
CanonicalSyTyLFy f781a8b60e105ff3
TotalMolweight 246.164
Molecular Weight 207.066
MonoisotopicMass 207.153189
CLogP 3.9977
CLogS -2.803
TotalSurfaceArea 181.17
Drug-likeness -32.051
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Nasty Functions unwanted atom
Shape Index 0.85714
Molecula Flexibility 0.59024
Molecular Complexity 0.39965
Fragments 2
Non HAtoms 14
NonCHAtoms 4
Electronegative Atoms 3
Rotatable Bond 8
Sp3Atoms 8
Symmetricatoms 2

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