3,3,3-trifluoropropyl thiohypochlorite

C3H4ClF3S — CID 126694031

IUPAC3,3,3-trifluoropropyl thiohypochlorite
SMILESFC(F)(F)CCSCl
InChIInChI=1S/C3H4ClF3S/c4-8-2-1-3(5,6)7/h1-2H2
InChIKeyRDXREBNQYUCPRE-UHFFFAOYSA-N
MW164.58 g/mol
LogP2.83
Rot. Bonds2

About 3,3,3-trifluoropropyl thiohypochlorite

3,3,3-trifluoropropyl thiohypochlorite (PubChem CID 126694031) has the molecular formula C3H4ClF3S and a molecular weight of 164.58 g/mol. Its IUPAC name is 3,3,3-trifluoropropyl thiohypochlorite.

Molecular Properties

Compound Name3,3,3-trifluoropropyl thiohypochlorite
PubChem CID126694031
Molecular FormulaC3H4ClF3S
Molecular Weight164.58 g/mol
Exact Mass163.97
IUPAC Name3,3,3-trifluoropropyl thiohypochlorite
SMILESFC(F)(F)CCSCl
InChIInChI=1S/C3H4ClF3S/c4-8-2-1-3(5,6)7/h1-2H2
InChIKeyRDXREBNQYUCPRE-UHFFFAOYSA-N
XLogP2.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.58
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoropropyl thiohypochlorite?
The IUPAC name of 3,3,3-trifluoropropyl thiohypochlorite (CID 126694031) is 3,3,3-trifluoropropyl thiohypochlorite.
What is the SMILES notation for 3,3,3-trifluoropropyl thiohypochlorite?
The canonical SMILES for 3,3,3-trifluoropropyl thiohypochlorite is FC(F)(F)CCSCl.
What is the InChIKey of 3,3,3-trifluoropropyl thiohypochlorite?
The InChIKey is RDXREBNQYUCPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4ClF3S/c4-8-2-1-3(5,6)7/h1-2H2.
What are the key properties of 3,3,3-trifluoropropyl thiohypochlorite?
3,3,3-trifluoropropyl thiohypochlorite has a molecular weight of 164.58 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoropropyl thiohypochlorite is sourced from PubChem (CID 126694031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).