(2H-Perfluoroethyl)(1H,1H,3H-perfluoropropyl)ether

CAS Number: 16627-68-2
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FC(C(COC(C(F)F)(F)F)(F)F)F
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C5H4OF8
Molecular Weight
232.07
Drug-likeness
-13.243
CAS
16627-68-2
InChI key
HCBRSIIGBBDDCD-UHFFFAOYSA-N
SMILES
FC(C(COC(C(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 16627-68-2
Molecule Name (2H-Perfluoroethyl)(1H,1H,3H-perfluoropropyl)ether
Molecular Formula C5H4OF8
SMILES FC(C(COC(C(F)F)(F)F)(F)F)F
InChI InChI=1S/C5H4F8O/c6-2(7)4(10,11)1-14-5(12,13)3(8)9/h2-3H,1H2
InChI Key HCBRSIIGBBDDCD-UHFFFAOYSA-N
CanonicalSyTyLFy 47c89abaf6b49768
TotalMolweight 232.07
Molecular Weight 232.07
MonoisotopicMass 232.013439
CLogP 1.8392
CLogS -3.23
H Acceptors 1
TotalSurfaceArea 133.88
Relative PSA 0.074694
PolarSurfaceArea 9.23
Drug-likeness -13.243
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.57143
Molecula Flexibility 0.82043
Molecular Complexity 0.57233
Fragments 1
Non HAtoms 14
NonCHAtoms 9
Electronegative Atoms 9
Rotatable Bond 5
Sp3Atoms 6
Symmetricatoms 4

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