[3-fluoro-4-(trifluoromethyl)phenyl] thiohypochlorite

C7H3ClF4S — CID 135159916

IUPAC[3-fluoro-4-(trifluoromethyl)phenyl] thiohypochlorite
SMILESFc1cc(SCl)ccc1C(F)(F)F
InChIInChI=1S/C7H3ClF4S/c8-13-4-1-2-5(6(9)3-4)7(10,11)12/h1-3H
InChIKeyBWSBMDRUDBEQRU-UHFFFAOYSA-N
MW230.61 g/mol
LogP4.09
Rot. Bonds1

About [3-fluoro-4-(trifluoromethyl)phenyl] thiohypochlorite

[3-fluoro-4-(trifluoromethyl)phenyl] thiohypochlorite (PubChem CID 135159916) has the molecular formula C7H3ClF4S and a molecular weight of 230.61 g/mol. Its IUPAC name is [3-fluoro-4-(trifluoromethyl)phenyl] thiohypochlorite.

Molecular Properties

Compound Name[3-fluoro-4-(trifluoromethyl)phenyl] thiohypochlorite
PubChem CID135159916
Molecular FormulaC7H3ClF4S
Molecular Weight230.61 g/mol
Exact Mass229.96
IUPAC Name[3-fluoro-4-(trifluoromethyl)phenyl] thiohypochlorite
SMILESFc1cc(SCl)ccc1C(F)(F)F
InChIInChI=1S/C7H3ClF4S/c8-13-4-1-2-5(6(9)3-4)7(10,11)12/h1-3H
InChIKeyBWSBMDRUDBEQRU-UHFFFAOYSA-N
XLogP4.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.61
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-(trifluoromethyl)phenyl] thiohypochlorite?
The IUPAC name of [3-fluoro-4-(trifluoromethyl)phenyl] thiohypochlorite (CID 135159916) is [3-fluoro-4-(trifluoromethyl)phenyl] thiohypochlorite.
What is the SMILES notation for [3-fluoro-4-(trifluoromethyl)phenyl] thiohypochlorite?
The canonical SMILES for [3-fluoro-4-(trifluoromethyl)phenyl] thiohypochlorite is Fc1cc(SCl)ccc1C(F)(F)F.
What is the InChIKey of [3-fluoro-4-(trifluoromethyl)phenyl] thiohypochlorite?
The InChIKey is BWSBMDRUDBEQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClF4S/c8-13-4-1-2-5(6(9)3-4)7(10,11)12/h1-3H.
What are the key properties of [3-fluoro-4-(trifluoromethyl)phenyl] thiohypochlorite?
[3-fluoro-4-(trifluoromethyl)phenyl] thiohypochlorite has a molecular weight of 230.61 g/mol, XLogP of 4.09, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-(trifluoromethyl)phenyl] thiohypochlorite is sourced from PubChem (CID 135159916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).