1H,1H,2'H-Perfluorodipropyl ether

CAS Number: 1000-28-8
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FC(C(OCC(C(F)(F)F)(F)F)(F)F)C(F)(F)F
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C6H3OF11
Molecular Weight
300.067
Drug-likeness
-44.343
CAS
1000-28-8
InChI key
JOROOXPAFHWVRW-UWTATZPHSA-N
SMILES
FC(C(OCC(C(F)(F)F)(F)F)(F)F)C(F)(F)F
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 1000-28-8
Molecule Name 1H,1H,2'H-Perfluorodipropyl ether
Molecular Formula C6H3OF11
SMILES FC(C(OCC(C(F)(F)F)(F)F)(F)F)C(F)(F)F
InChI InChI=1S/C6H3F11O/c7-2(4(10,11)12)5(13,14)18-1-3(8,9)6(15,16)17/h2H,1H2/t2-/m1/s1
InChI Key JOROOXPAFHWVRW-UWTATZPHSA-N
CanonicalSyTyLFy 577d242017ed0cdf
TotalMolweight 300.067
Molecular Weight 300.067
MonoisotopicMass 300.000823
CLogP 3.4059
CLogS -4.221
H Acceptors 1
TotalSurfaceArea 161.25
Relative PSA 0.062016
PolarSurfaceArea 9.23
Drug-likeness -44.343
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.5
Molecula Flexibility 0.82275
Molecular Complexity 0.62239
Fragments 1
Non HAtoms 18
NonCHAtoms 12
Electronegative Atoms 12
StereoCenters 1
Rotatable Bond 6
Sp3Atoms 7
Symmetricatoms 6
StereoCon racemate

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