Iodozinc(1+) 1,1,1,2,3,3,3-heptafluoropropan-2-ide

CAS Number: 62656-71-7
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F[C-](C(F)(F)F)C(F)(F)F.[Zn+]I
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
IZn.C3F7
Molecular Weight
169.019
Drug-likeness
-6.8175
CAS
62656-71-7
InChI key
NWGBYFCQYBNKLH-UHFFFAOYSA-M
SMILES
F[C-](C(F)(F)F)C(F)(F)F.[Zn+]I
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 62656-71-7
Molecule Name Iodozinc(1+) 1,1,1,2,3,3,3-heptafluoropropan-2-ide
Molecular Formula IZn.C3F7
SMILES F[C-](C(F)(F)F)C(F)(F)F.[Zn+]I
InChI InChI=1S/C3F7.HI.Zn/c4-1(2(5,6)7)3(8,9)10;;/h;1H;/q-1;;+2/p-1
InChI Key NWGBYFCQYBNKLH-UHFFFAOYSA-M
CanonicalSyTyLFy 3b76564e1a3cb2a9
TotalMolweight 361.309
Molecular Weight 169.019
MonoisotopicMass 168.988821
CLogP 2.572
CLogS -2.917
TotalSurfaceArea 85.52
Drug-likeness -6.8175
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.5
Molecula Flexibility 0.81603
Molecular Complexity 0.67701
Fragments 2
Non HAtoms 10
NonCHAtoms 7
Electronegative Atoms 7
Rotatable Bond 2
Sp3Atoms 3
Symmetricatoms 6

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