[3,5-bis(trifluoromethyl)phenyl] thiohypochlorite;ethane

C10H9ClF6S — CID 142034208

IUPAC[3,5-bis(trifluoromethyl)phenyl] thiohypochlorite;ethane
SMILESCC.FC(F)(F)c1cc(SCl)cc(C(F)(F)F)c1
InChIInChI=1S/C8H3ClF6S.C2H6/c9-16-6-2-4(7(10,11)12)1-5(3-6)8(13,14)15;1-2/h1-3H;1-2H3
InChIKeyXQDKIFHPTIUWGF-UHFFFAOYSA-N
MW310.69 g/mol
LogP6.00
Rot. Bonds1

About [3,5-bis(trifluoromethyl)phenyl] thiohypochlorite;ethane

[3,5-bis(trifluoromethyl)phenyl] thiohypochlorite;ethane (PubChem CID 142034208) has the molecular formula C10H9ClF6S and a molecular weight of 310.69 g/mol. Its IUPAC name is [3,5-bis(trifluoromethyl)phenyl] thiohypochlorite;ethane.

Molecular Properties

Compound Name[3,5-bis(trifluoromethyl)phenyl] thiohypochlorite;ethane
PubChem CID142034208
Molecular FormulaC10H9ClF6S
Molecular Weight310.69 g/mol
Exact Mass310.00
IUPAC Name[3,5-bis(trifluoromethyl)phenyl] thiohypochlorite;ethane
SMILESCC.FC(F)(F)c1cc(SCl)cc(C(F)(F)F)c1
InChIInChI=1S/C8H3ClF6S.C2H6/c9-16-6-2-4(7(10,11)12)1-5(3-6)8(13,14)15;1-2/h1-3H;1-2H3
InChIKeyXQDKIFHPTIUWGF-UHFFFAOYSA-N
XLogP6.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.69
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[4-(trifluoromethyl)phenyl] thiohypochlorite
CID 12521940
N-[3,5-bis(trifluoromethyl)phenyl]sulfanylmethanamine
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1-[[3,5-bis(trifluoromethyl)phenyl]sulfanylamino]sulfanyl-3,5-bis(trifluoromethyl)benzene
CID 163299178
1-chloro-3,5-bis(trifluoromethyl)benzene
CID 2769405
formyl chloride;1,3,5-tris(trifluoromethyl)benzene
CID 174890856
1,3-dimethyl-5-(trifluoromethyl)benzene;ethane
CID 143497301
1-chloro-2-methyl-3-methylsulfanyl-5-(trifluoromethyl)benzene;ethane
CID 142574142
2,4,6-tris[[3,5-bis(trifluoromethyl)phenyl]sulfanyl]aniline
CID 139901897
3,5-bis(trifluoromethyl)benzoic acid;ethane
CID 143967931
bis[3,5-bis(trifluoromethyl)phenyl]-dimethylstannane
CID 171930237
[3,5-bis(trifluoromethyl)phenyl]-trimethylstannane
CID 14523014
(2R,5R)-1-[3,5-bis(trifluoromethyl)phenyl]-2,5-dimethylpyrrolidine
CID 6928964

Frequently Asked Questions

What is the IUPAC name of [3,5-bis(trifluoromethyl)phenyl] thiohypochlorite;ethane?
The IUPAC name of [3,5-bis(trifluoromethyl)phenyl] thiohypochlorite;ethane (CID 142034208) is [3,5-bis(trifluoromethyl)phenyl] thiohypochlorite;ethane.
What is the SMILES notation for [3,5-bis(trifluoromethyl)phenyl] thiohypochlorite;ethane?
The canonical SMILES for [3,5-bis(trifluoromethyl)phenyl] thiohypochlorite;ethane is CC.FC(F)(F)c1cc(SCl)cc(C(F)(F)F)c1.
What is the InChIKey of [3,5-bis(trifluoromethyl)phenyl] thiohypochlorite;ethane?
The InChIKey is XQDKIFHPTIUWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3ClF6S.C2H6/c9-16-6-2-4(7(10,11)12)1-5(3-6)8(13,14)15;1-2/h1-3H;1-2H3.
What are the key properties of [3,5-bis(trifluoromethyl)phenyl] thiohypochlorite;ethane?
[3,5-bis(trifluoromethyl)phenyl] thiohypochlorite;ethane has a molecular weight of 310.69 g/mol, XLogP of 6.00, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-bis(trifluoromethyl)phenyl] thiohypochlorite;ethane is sourced from PubChem (CID 142034208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).