Tetraethylammonium Fluoride Tetrahydrofluoride

CAS Number: 145826-81-9
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CC[N+](CC)(CC)CC.[F-].F.F.F.F
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
HF.HF.HF.HF.F.C8H20N
Molecular Weight
130.254
Drug-likeness
-12.547
CAS
145826-81-9
InChI key
ANODKKTYHRYRDA-UHFFFAOYSA-M
SMILES
CC[N+](CC)(CC)CC.[F-].F.F.F.F
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 145826-81-9
Molecule Name Tetraethylammonium Fluoride Tetrahydrofluoride
Molecular Formula HF.HF.HF.HF.F.C8H20N
SMILES CC[N+](CC)(CC)CC.[F-].F.F.F.F
InChI InChI=1S/C8H20N.5FH/c1-5-9(6-2,7-3)8-4;;;;;/h5-8H2,1-4H3;5*1H/q+1;;;;;/p-1
InChI Key ANODKKTYHRYRDA-UHFFFAOYSA-M
CanonicalSyTyLFy 7c48946233d5cf10
TotalMolweight 229.276
Molecular Weight 130.254
MonoisotopicMass 130.159574
CLogP -1.4482
CLogS -0.742
H Acceptors 1
TotalSurfaceArea 123.46
Relative PSA -0.06172
Drug-likeness -12.547
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Nasty Functions quart. ammonium
Shape Index 0.55556
Molecula Flexibility 0.87114
Molecular Complexity 0.44794
Fragments 6
Non HAtoms 9
NonCHAtoms 1
Electronegative Atoms 1
Rotatable Bond 4
Sp3Atoms 9
Symmetricatoms 6
Amines 1
AlkylAmines 1

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