Tridecane, 1-chloro-13-fluoro-

CAS Number: 334-75-8
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FCCCCCCCCCCCCCCl
Molecule Information
Mutagenic: low Tumorigenic: high Irritant: none
Formula
C13H26ClF
Molecular Weight
236.8
Drug-likeness
-16.726
CAS
334-75-8
InChI key
UIOQBFNDVYPNLI-UHFFFAOYSA-N
SMILES
FCCCCCCCCCCCCCCl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
low
Tumorigenic
high
Handling Watch
Irritant: none | Reproductive effective: high
PropertyValue
CAS Number 334-75-8
Molecule Name Tridecane, 1-chloro-13-fluoro-
Molecular Formula C13H26ClF
SMILES FCCCCCCCCCCCCCCl
InChI InChI=1S/C13H26ClF/c14-12-10-8-6-4-2-1-3-5-7-9-11-13-15/h1-13H2
InChI Key UIOQBFNDVYPNLI-UHFFFAOYSA-N
CanonicalSyTyLFy bc75c6787223a66e
TotalMolweight 236.8
Molecular Weight 236.8
MonoisotopicMass 236.170705
CLogP 5.9793
CLogS -4.43
TotalSurfaceArea 214.15
Drug-likeness -16.726
Mutagenic low
Tumorigenic high
Reproductive Effective high
Irritant none
Shape Index 1
Molecula Flexibility 0.537
Molecular Complexity 0.29706
Fragments 1
Non HAtoms 15
NonCHAtoms 2
Electronegative Atoms 2
Rotatable Bond 12
Sp3Atoms 13

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