Potassium trifluoro{[2-(morpholin-4-yl)ethoxy]methyl}borate(1-)

CAS Number: 910251-18-2
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F[B-](COCCN1CCOCC1)(F)F.[K+]
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
K.C7H14NO2BF3
Molecular Weight
211.998
Drug-likeness
-8.7251
CAS
910251-18-2
InChI key
VIHYNTVEQYQQBO-UHFFFAOYSA-N
SMILES
F[B-](COCCN1CCOCC1)(F)F.[K+]
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 910251-18-2
Molecule Name Potassium trifluoro{[2-(morpholin-4-yl)ethoxy]methyl}borate(1-)
Molecular Formula K.C7H14NO2BF3
SMILES F[B-](COCCN1CCOCC1)(F)F.[K+]
InChI InChI=1S/C7H14BF3NO2.K/c9-8(10,11)7-14-6-3-12-1-4-13-5-2-12;/h1-7H2;/q-1;+1
InChI Key VIHYNTVEQYQQBO-UHFFFAOYSA-N
CanonicalSyTyLFy 3fd46d5428068c2d
TotalMolweight 251.096
Molecular Weight 211.998
MonoisotopicMass 212.106968
CLogP 0.0218
CLogS -0.61
H Acceptors 3
TotalSurfaceArea 159.21
Relative PSA 0.14792
PolarSurfaceArea 21.7
Drug-likeness -8.7251
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Nasty Functions unwanted atom
Shape Index 0.71429
Molecula Flexibility 0.69452
Molecular Complexity 0.40474
Fragments 2
Non HAtoms 14
NonCHAtoms 7
Electronegative Atoms 6
Rotatable Bond 5
Rings Closures 1
Small Rings 1
Sp3Atoms 10
Symmetricatoms 4
Amines 1
AlkylAmines 1
BasicNitrogens 1

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