(2-Chloro-1,1,2,2-tetrafluoroethoxy)trifluoroethylene

CAS Number: 56672-52-7
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FC(C(F)(F)Cl)(OC(F)=C(F)F)F
Molecule Information
Mutagenic: high Tumorigenic: high Irritant: high
Formula
C4OClF7
Molecular Weight
232.482
Drug-likeness
-21.778
CAS
56672-52-7
InChI key
CBHVWKVADDVCHE-UHFFFAOYSA-N
SMILES
FC(C(F)(F)Cl)(OC(F)=C(F)F)F
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
high
Tumorigenic
high
Handling Watch
Irritant: high | Reproductive effective: high
PropertyValue
CAS Number 56672-52-7
Molecule Name (2-Chloro-1,1,2,2-tetrafluoroethoxy)trifluoroethylene
Molecular Formula C4OClF7
SMILES FC(C(F)(F)Cl)(OC(F)=C(F)F)F
InChI InChI=1S/C4ClF7O/c5-3(9,10)4(11,12)13-2(8)1(6)7
InChI Key CBHVWKVADDVCHE-UHFFFAOYSA-N
CanonicalSyTyLFy 6bbe8f660cf73fa7
TotalMolweight 232.482
Molecular Weight 232.482
MonoisotopicMass 231.952588
CLogP 3.5028
CLogS -6.866
H Acceptors 1
TotalSurfaceArea 127.11
Relative PSA 0.078672
PolarSurfaceArea 9.23
Drug-likeness -21.778
Mutagenic high
Tumorigenic high
Reproductive Effective high
Irritant high
Shape Index 0.53846
Molecula Flexibility 0.76955
Molecular Complexity 0.64169
Fragments 1
Non HAtoms 13
NonCHAtoms 9
Electronegative Atoms 9
Rotatable Bond 3
Sp3Atoms 3
Symmetricatoms 3

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