[3-bromo-5-(trifluoromethyl)phenyl]-pentafluoro-lambda6-sulfane

C7H3BrF8S — CID 10269364

IUPAC[3-bromo-5-(trifluoromethyl)phenyl]-pentafluoro-lambda6-sulfane
SMILESFC(F)(F)c1cc(Br)cc(S(F)(F)(F)(F)F)c1
InChIInChI=1S/C7H3BrF8S/c8-5-1-4(7(9,10)11)2-6(3-5)17(12,13,14,15)16/h1-3H
InChIKeyAWEKUIOHUYRJRG-UHFFFAOYSA-N
MW351.06 g/mol
LogP6.13
Rot. Bonds1

About [3-bromo-5-(trifluoromethyl)phenyl]-pentafluoro-lambda6-sulfane

[3-bromo-5-(trifluoromethyl)phenyl]-pentafluoro-lambda6-sulfane (PubChem CID 10269364) has the molecular formula C7H3BrF8S and a molecular weight of 351.06 g/mol. Its IUPAC name is [3-bromo-5-(trifluoromethyl)phenyl]-pentafluoro-lambda6-sulfane.

Molecular Properties

Compound Name[3-bromo-5-(trifluoromethyl)phenyl]-pentafluoro-lambda6-sulfane
PubChem CID10269364
Molecular FormulaC7H3BrF8S
Molecular Weight351.06 g/mol
Exact Mass349.90
IUPAC Name[3-bromo-5-(trifluoromethyl)phenyl]-pentafluoro-lambda6-sulfane
SMILESFC(F)(F)c1cc(Br)cc(S(F)(F)(F)(F)F)c1
InChIInChI=1S/C7H3BrF8S/c8-5-1-4(7(9,10)11)2-6(3-5)17(12,13,14,15)16/h1-3H
InChIKeyAWEKUIOHUYRJRG-UHFFFAOYSA-N
XLogP6.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.06
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of [3-bromo-5-(trifluoromethyl)phenyl]-pentafluoro-lambda6-sulfane?
The IUPAC name of [3-bromo-5-(trifluoromethyl)phenyl]-pentafluoro-lambda6-sulfane (CID 10269364) is [3-bromo-5-(trifluoromethyl)phenyl]-pentafluoro-lambda6-sulfane.
What is the SMILES notation for [3-bromo-5-(trifluoromethyl)phenyl]-pentafluoro-lambda6-sulfane?
The canonical SMILES for [3-bromo-5-(trifluoromethyl)phenyl]-pentafluoro-lambda6-sulfane is FC(F)(F)c1cc(Br)cc(S(F)(F)(F)(F)F)c1.
What is the InChIKey of [3-bromo-5-(trifluoromethyl)phenyl]-pentafluoro-lambda6-sulfane?
The InChIKey is AWEKUIOHUYRJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrF8S/c8-5-1-4(7(9,10)11)2-6(3-5)17(12,13,14,15)16/h1-3H.
What are the key properties of [3-bromo-5-(trifluoromethyl)phenyl]-pentafluoro-lambda6-sulfane?
[3-bromo-5-(trifluoromethyl)phenyl]-pentafluoro-lambda6-sulfane has a molecular weight of 351.06 g/mol, XLogP of 6.13, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-5-(trifluoromethyl)phenyl]-pentafluoro-lambda6-sulfane is sourced from PubChem (CID 10269364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).