(1,1-dichloro-2,2,3,3-tetrafluoropropyl) thiohypochlorite

C3HCl3F4S — CID 11322705

IUPAC(1,1-dichloro-2,2,3,3-tetrafluoropropyl) thiohypochlorite
SMILESFC(F)C(F)(F)C(Cl)(Cl)SCl
InChIInChI=1S/C3HCl3F4S/c4-3(5,11-6)2(9,10)1(7)8/h1H
InChIKeyIZTLBQZZYAJHRM-UHFFFAOYSA-N
MW251.46 g/mol
LogP3.91
Rot. Bonds3

About (1,1-dichloro-2,2,3,3-tetrafluoropropyl) thiohypochlorite

(1,1-dichloro-2,2,3,3-tetrafluoropropyl) thiohypochlorite (PubChem CID 11322705) has the molecular formula C3HCl3F4S and a molecular weight of 251.46 g/mol. Its IUPAC name is (1,1-dichloro-2,2,3,3-tetrafluoropropyl) thiohypochlorite.

Molecular Properties

Compound Name(1,1-dichloro-2,2,3,3-tetrafluoropropyl) thiohypochlorite
PubChem CID11322705
Molecular FormulaC3HCl3F4S
Molecular Weight251.46 g/mol
Exact Mass249.88
IUPAC Name(1,1-dichloro-2,2,3,3-tetrafluoropropyl) thiohypochlorite
SMILESFC(F)C(F)(F)C(Cl)(Cl)SCl
InChIInChI=1S/C3HCl3F4S/c4-3(5,11-6)2(9,10)1(7)8/h1H
InChIKeyIZTLBQZZYAJHRM-UHFFFAOYSA-N
XLogP3.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.46
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

chloro(difluoro)methane;1-chloro-1,1,2,2,3,3-hexafluoropropane
CID 160658903
1,1,1,2,2,3,3-heptafluoropropane;methane
CID 158693034
1,1,1,2,2,3,3-heptafluoropropane;hydrobromide
CID 175862099
CID 172837284
CID 172837284
1,1,1,2,2,3,3-heptafluoropropane;hydrochloride
CID 158268992
1,2,2-trichloro-1,1,3,3-tetrafluoropropane
CID 23237203
1,1,2,2,3,3-hexafluoropropane-1-sulfonamide
CID 162553244
CID 102071803
CID 102071803
chloro(trifluoro)methane;1,1-difluoroethane
CID 161180973
chloro(difluoro)methane;dichloro(difluoro)methane;trichloro(fluoro)methane
CID 19892956
1,1,2,2,3,3,4,4-octafluorobutylsilane
CID 175217850
1,2-dichloro-1,1,2-trifluoroethane chloride
CID 158973247

Frequently Asked Questions

What is the IUPAC name of (1,1-dichloro-2,2,3,3-tetrafluoropropyl) thiohypochlorite?
The IUPAC name of (1,1-dichloro-2,2,3,3-tetrafluoropropyl) thiohypochlorite (CID 11322705) is (1,1-dichloro-2,2,3,3-tetrafluoropropyl) thiohypochlorite.
What is the SMILES notation for (1,1-dichloro-2,2,3,3-tetrafluoropropyl) thiohypochlorite?
The canonical SMILES for (1,1-dichloro-2,2,3,3-tetrafluoropropyl) thiohypochlorite is FC(F)C(F)(F)C(Cl)(Cl)SCl.
What is the InChIKey of (1,1-dichloro-2,2,3,3-tetrafluoropropyl) thiohypochlorite?
The InChIKey is IZTLBQZZYAJHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HCl3F4S/c4-3(5,11-6)2(9,10)1(7)8/h1H.
What are the key properties of (1,1-dichloro-2,2,3,3-tetrafluoropropyl) thiohypochlorite?
(1,1-dichloro-2,2,3,3-tetrafluoropropyl) thiohypochlorite has a molecular weight of 251.46 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dichloro-2,2,3,3-tetrafluoropropyl) thiohypochlorite is sourced from PubChem (CID 11322705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).