((Perfluorooctyl)ethyl)di(propan-2-yl)silane

CAS Number: 356056-15-0
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CC(C)[SiH](CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(C)C
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: high
Formula
C16H19F17Si
Molecular Weight
562.379
Drug-likeness
-145.8
CAS
356056-15-0
InChI key
BFRDVGYAJGMBJI-UHFFFAOYSA-N
SMILES
CC(C)[SiH](CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(C)C
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: high | Reproductive effective: none
PropertyValue
CAS Number 356056-15-0
Molecule Name ((Perfluorooctyl)ethyl)di(propan-2-yl)silane
Molecular Formula C16H19F17Si
SMILES CC(C)[SiH](CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(C)C
InChI InChI=1S/C16H19F17Si/c1-7(2)34(8(3)4)6-5-9(17,18)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)15(29,30)16(31,32)33/h7-8,34H,5-6H2,1-4H3
InChI Key BFRDVGYAJGMBJI-UHFFFAOYSA-N
CanonicalSyTyLFy 1cdeebb2d0c4bab6
TotalMolweight 562.379
Molecular Weight 562.379
MonoisotopicMass 562.098453
CLogP 8.8044
CLogS -9.955
TotalSurfaceArea 313.04
Drug-likeness -145.8
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant high
Shape Index 0.41176
Molecula Flexibility 0.57225
Molecular Complexity 0.89747
Fragments 1
Non HAtoms 34
NonCHAtoms 18
Electronegative Atoms 17
Rotatable Bond 12
Sp3Atoms 16
Symmetricatoms 13

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