(1Z)-1,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooct-1-ene

CAS Number: 1516885-18-9
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FC(C(C(C(F)(F)F)(F)F)(F)F)(C(C(/C(/F)=C/F)(F)F)(F)F)F
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C8HF15
Molecular Weight
382.066
Drug-likeness
-102.77
CAS
1516885-18-9
InChI key
IBDDYNPOMOFBDI-UHFFFAOYSA-N
SMILES
FC(C(C(C(F)(F)F)(F)F)(F)F)(C(C(/C(/F)=C/F)(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 1516885-18-9
Molecule Name (1Z)-1,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooct-1-ene
Molecular Formula C8HF15
SMILES FC(C(C(C(F)(F)F)(F)F)(F)F)(C(C(/C(/F)=C/F)(F)F)(F)F)F
InChI InChI=1S/C8HF15/c9-1-2(10)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23/h1H
InChI Key IBDDYNPOMOFBDI-UHFFFAOYSA-N
CanonicalSyTyLFy ecab9b44db4f8069
TotalMolweight 382.066
Molecular Weight 382.066
MonoisotopicMass 381.98387
CLogP 5.5233
CLogS -6.396
TotalSurfaceArea 195.92
Drug-likeness -102.77
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.43478
Molecula Flexibility 0.55879
Molecular Complexity 0.82887
Fragments 1
Non HAtoms 23
NonCHAtoms 15
Electronegative Atoms 15
Rotatable Bond 6
Sp3Atoms 6
Symmetricatoms 7

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