(1Z)-1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Nonadecafluoro-1-iododec-1-ene

CAS Number: 56184-40-8
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FC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(C(C(C(/C(/F)=C(\F)/I)(F)F)(F)F)(F)F)F
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C10F19I
Molecular Weight
607.972
Drug-likeness
-103.5
CAS
56184-40-8
InChI key
CNVIZYKCNXLGGZ-UHFFFAOYSA-N
SMILES
FC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(C(C(C(/C(/F)=C(\F)/I)(F)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 56184-40-8
Molecule Name (1Z)-1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Nonadecafluoro-1-iododec-1-ene
Molecular Formula C10F19I
SMILES FC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(C(C(C(/C(/F)=C(\F)/I)(F)F)(F)F)(F)F)F
InChI InChI=1S/C10F19I/c11-1(2(12)30)3(13,14)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)29
InChI Key CNVIZYKCNXLGGZ-UHFFFAOYSA-N
CanonicalSyTyLFy fa3f6163d2e51507
TotalMolweight 607.972
Molecular Weight 607.972
MonoisotopicMass 607.87413
CLogP 8.3782
CLogS -8.312
TotalSurfaceArea 266.63
Drug-likeness -103.5
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.4
Molecula Flexibility 0.51836
Molecular Complexity 0.90752
Fragments 1
Non HAtoms 30
NonCHAtoms 20
Electronegative Atoms 20
Rotatable Bond 8
Sp3Atoms 8
Symmetricatoms 9

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