(1H,1H-Perfluoroethyl)(2H-perfluoroethyl)ether

CAS Number: 406-78-0
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FC(C(OCC(F)(F)F)(F)F)F
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C4H3OF7
Molecular Weight
200.053
Drug-likeness
-15.118
CAS
406-78-0
InChI key
CWIFAKBLLXGZIC-UHFFFAOYSA-N
SMILES
FC(C(OCC(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 406-78-0
Molecule Name (1H,1H-Perfluoroethyl)(2H-perfluoroethyl)ether
Molecular Formula C4H3OF7
SMILES FC(C(OCC(F)(F)F)(F)F)F
InChI InChI=1S/C4H3F7O/c5-2(6)4(10,11)12-1-3(7,8)9/h2H,1H2
InChI Key CWIFAKBLLXGZIC-UHFFFAOYSA-N
CanonicalSyTyLFy 84654d417bfbaefc
TotalMolweight 200.053
Molecular Weight 200.053
MonoisotopicMass 200.007211
CLogP 1.8467
CLogS -2.781
H Acceptors 1
TotalSurfaceArea 115.03
Relative PSA 0.086934
PolarSurfaceArea 9.23
Drug-likeness -15.118
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.58333
Molecula Flexibility 0.80466
Molecular Complexity 0.56664
Fragments 1
Non HAtoms 12
NonCHAtoms 8
Electronegative Atoms 8
Rotatable Bond 4
Sp3Atoms 5
Symmetricatoms 4

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