2-bromo-1-(4-chlorophenyl)sulfanyl-4-(trifluoromethyl)benzene

C13H7BrClF3S — CID 68683413

IUPAC2-bromo-1-(4-chlorophenyl)sulfanyl-4-(trifluoromethyl)benzene
SMILESFC(F)(F)c1ccc(Sc2ccc(Cl)cc2)c(Br)c1
InChIInChI=1S/C13H7BrClF3S/c14-11-7-8(13(16,17)18)1-6-12(11)19-10-4-2-9(15)3-5-10/h1-7H
InChIKeyBYDWHSLCSYNLPK-UHFFFAOYSA-N
MW367.62 g/mol
LogP6.27
Rot. Bonds2

About 2-bromo-1-(4-chlorophenyl)sulfanyl-4-(trifluoromethyl)benzene

2-bromo-1-(4-chlorophenyl)sulfanyl-4-(trifluoromethyl)benzene (PubChem CID 68683413) has the molecular formula C13H7BrClF3S and a molecular weight of 367.62 g/mol. Its IUPAC name is 2-bromo-1-(4-chlorophenyl)sulfanyl-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-bromo-1-(4-chlorophenyl)sulfanyl-4-(trifluoromethyl)benzene
PubChem CID68683413
Molecular FormulaC13H7BrClF3S
Molecular Weight367.62 g/mol
Exact Mass365.91
IUPAC Name2-bromo-1-(4-chlorophenyl)sulfanyl-4-(trifluoromethyl)benzene
SMILESFC(F)(F)c1ccc(Sc2ccc(Cl)cc2)c(Br)c1
InChIInChI=1S/C13H7BrClF3S/c14-11-7-8(13(16,17)18)1-6-12(11)19-10-4-2-9(15)3-5-10/h1-7H
InChIKeyBYDWHSLCSYNLPK-UHFFFAOYSA-N
XLogP6.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.62
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(4-chlorophenyl)sulfanyl-4-(trifluoromethyl)benzene?
The IUPAC name of 2-bromo-1-(4-chlorophenyl)sulfanyl-4-(trifluoromethyl)benzene (CID 68683413) is 2-bromo-1-(4-chlorophenyl)sulfanyl-4-(trifluoromethyl)benzene.
What is the SMILES notation for 2-bromo-1-(4-chlorophenyl)sulfanyl-4-(trifluoromethyl)benzene?
The canonical SMILES for 2-bromo-1-(4-chlorophenyl)sulfanyl-4-(trifluoromethyl)benzene is FC(F)(F)c1ccc(Sc2ccc(Cl)cc2)c(Br)c1.
What is the InChIKey of 2-bromo-1-(4-chlorophenyl)sulfanyl-4-(trifluoromethyl)benzene?
The InChIKey is BYDWHSLCSYNLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrClF3S/c14-11-7-8(13(16,17)18)1-6-12(11)19-10-4-2-9(15)3-5-10/h1-7H.
What are the key properties of 2-bromo-1-(4-chlorophenyl)sulfanyl-4-(trifluoromethyl)benzene?
2-bromo-1-(4-chlorophenyl)sulfanyl-4-(trifluoromethyl)benzene has a molecular weight of 367.62 g/mol, XLogP of 6.27, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(4-chlorophenyl)sulfanyl-4-(trifluoromethyl)benzene is sourced from PubChem (CID 68683413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).