[4-(trifluoromethyl)phenyl] thiohypochlorite

C7H4ClF3S — CID 12521940

IUPAC[4-(trifluoromethyl)phenyl] thiohypochlorite
SMILESFC(F)(F)c1ccc(SCl)cc1
InChIInChI=1S/C7H4ClF3S/c8-12-6-3-1-5(2-4-6)7(9,10)11/h1-4H
InChIKeyIHADUKZUSBCEAR-UHFFFAOYSA-N
MW212.62 g/mol
LogP3.95
Rot. Bonds1

About [4-(trifluoromethyl)phenyl] thiohypochlorite

[4-(trifluoromethyl)phenyl] thiohypochlorite (PubChem CID 12521940) has the molecular formula C7H4ClF3S and a molecular weight of 212.62 g/mol. Its IUPAC name is [4-(trifluoromethyl)phenyl] thiohypochlorite.

Molecular Properties

Compound Name[4-(trifluoromethyl)phenyl] thiohypochlorite
PubChem CID12521940
Molecular FormulaC7H4ClF3S
Molecular Weight212.62 g/mol
Exact Mass211.97
IUPAC Name[4-(trifluoromethyl)phenyl] thiohypochlorite
SMILESFC(F)(F)c1ccc(SCl)cc1
InChIInChI=1S/C7H4ClF3S/c8-12-6-3-1-5(2-4-6)7(9,10)11/h1-4H
InChIKeyIHADUKZUSBCEAR-UHFFFAOYSA-N
XLogP3.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.62
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethyl)phenyl] thiohypochlorite?
The IUPAC name of [4-(trifluoromethyl)phenyl] thiohypochlorite (CID 12521940) is [4-(trifluoromethyl)phenyl] thiohypochlorite.
What is the SMILES notation for [4-(trifluoromethyl)phenyl] thiohypochlorite?
The canonical SMILES for [4-(trifluoromethyl)phenyl] thiohypochlorite is FC(F)(F)c1ccc(SCl)cc1.
What is the InChIKey of [4-(trifluoromethyl)phenyl] thiohypochlorite?
The InChIKey is IHADUKZUSBCEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF3S/c8-12-6-3-1-5(2-4-6)7(9,10)11/h1-4H.
What are the key properties of [4-(trifluoromethyl)phenyl] thiohypochlorite?
[4-(trifluoromethyl)phenyl] thiohypochlorite has a molecular weight of 212.62 g/mol, XLogP of 3.95, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethyl)phenyl] thiohypochlorite is sourced from PubChem (CID 12521940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).