[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl] thiohypochlorite

C7H6ClF3S — CID 145433791

IUPAC[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl] thiohypochlorite
SMILESFC(F)(F)C1=CCCC=C1SCl
InChIInChI=1S/C7H6ClF3S/c8-12-6-4-2-1-3-5(6)7(9,10)11/h3-4H,1-2H2
InChIKeyRZFWSELTRVBHME-UHFFFAOYSA-N
MW214.64 g/mol
LogP4.04
Rot. Bonds1

About [6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl] thiohypochlorite

[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl] thiohypochlorite (PubChem CID 145433791) has the molecular formula C7H6ClF3S and a molecular weight of 214.64 g/mol. Its IUPAC name is [6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl] thiohypochlorite.

Molecular Properties

Compound Name[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl] thiohypochlorite
PubChem CID145433791
Molecular FormulaC7H6ClF3S
Molecular Weight214.64 g/mol
Exact Mass213.98
IUPAC Name[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl] thiohypochlorite
SMILESFC(F)(F)C1=CCCC=C1SCl
InChIInChI=1S/C7H6ClF3S/c8-12-6-4-2-1-3-5(6)7(9,10)11/h3-4H,1-2H2
InChIKeyRZFWSELTRVBHME-UHFFFAOYSA-N
XLogP4.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.64
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-(Trifluoromethyl)cyclohexa-2,4-diene-1-thione
CID 21612471
2-(Trifluoromethyl)cyclohexa-2,4-diene-1-thione
CID 88624352
(3,6-Difluorocyclohexa-1,5-dien-1-yl) thiohypochlorite
CID 144086895
6-(Trifluoromethyl)cyclohexa-1,5-diene-1-thiol
CID 144800511
S-[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]thiohydroxylamine
CID 144873646
4-(Trifluoromethyl)cyclohexa-2,4-diene-1-thione
CID 163643500
3-(Trifluoromethyl)cyclohexa-1,3-diene-1-thiol
CID 147037274
6-Methylidene-4-(trifluoromethyl)cyclohexa-1,3-diene-1-thiol
CID 162551911

Frequently Asked Questions

What is the IUPAC name of [6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl] thiohypochlorite?
The IUPAC name of [6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl] thiohypochlorite (CID 145433791) is [6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl] thiohypochlorite.
What is the SMILES notation for [6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl] thiohypochlorite?
The canonical SMILES for [6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl] thiohypochlorite is FC(F)(F)C1=CCCC=C1SCl.
What is the InChIKey of [6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl] thiohypochlorite?
The InChIKey is RZFWSELTRVBHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF3S/c8-12-6-4-2-1-3-5(6)7(9,10)11/h3-4H,1-2H2.
What are the key properties of [6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl] thiohypochlorite?
[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl] thiohypochlorite has a molecular weight of 214.64 g/mol, XLogP of 4.04, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl] thiohypochlorite is sourced from PubChem (CID 145433791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).