Potassium (cyclohex-1-en-1-yl)(trifluoro)borate(1-)

CAS Number: 1186667-20-8
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F[B-](C1=CCCCC1)(F)F.[K+]
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
K.C6H9BF3
Molecular Weight
148.942
Drug-likeness
-18.461
CAS
1186667-20-8
InChI key
HGMUFAMKMWVCQO-UHFFFAOYSA-N
SMILES
F[B-](C1=CCCCC1)(F)F.[K+]
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 1186667-20-8
Molecule Name Potassium (cyclohex-1-en-1-yl)(trifluoro)borate(1-)
Molecular Formula K.C6H9BF3
SMILES F[B-](C1=CCCCC1)(F)F.[K+]
InChI InChI=1S/C6H9BF3.K/c8-7(9,10)6-4-2-1-3-5-6;/h4H,1-3,5H2;/q-1;+1
InChI Key HGMUFAMKMWVCQO-UHFFFAOYSA-N
CanonicalSyTyLFy 5c4f52c17cba5d13
TotalMolweight 188.04
Molecular Weight 148.942
MonoisotopicMass 149.074939
CLogP 1.5723
CLogS -1.766
TotalSurfaceArea 112.34
Drug-likeness -18.461
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Nasty Functions unwanted atom
Shape Index 0.6
Molecula Flexibility 0.55391
Molecular Complexity 0.6868
Fragments 2
Non HAtoms 10
NonCHAtoms 4
Electronegative Atoms 3
Rotatable Bond 1
Rings Closures 1
Small Rings 1
Sp3Atoms 4
Symmetricatoms 2

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