1-(4-bromophenyl)sulfanyl-4-methoxy-2-(trifluoromethyl)benzene

C14H10BrF3OS — CID 91877399

IUPAC1-(4-bromophenyl)sulfanyl-4-methoxy-2-(trifluoromethyl)benzene
SMILESCOc1ccc(Sc2ccc(Br)cc2)c(C(F)(F)F)c1
InChIInChI=1S/C14H10BrF3OS/c1-19-10-4-7-13(12(8-10)14(16,17)18)20-11-5-2-9(15)3-6-11/h2-8H,1H3
InChIKeyXRQSXFNCMDZTKA-UHFFFAOYSA-N
MW363.20 g/mol
LogP5.63
Rot. Bonds3

About 1-(4-bromophenyl)sulfanyl-4-methoxy-2-(trifluoromethyl)benzene

1-(4-bromophenyl)sulfanyl-4-methoxy-2-(trifluoromethyl)benzene (PubChem CID 91877399) has the molecular formula C14H10BrF3OS and a molecular weight of 363.20 g/mol. Its IUPAC name is 1-(4-bromophenyl)sulfanyl-4-methoxy-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(4-bromophenyl)sulfanyl-4-methoxy-2-(trifluoromethyl)benzene
PubChem CID91877399
Molecular FormulaC14H10BrF3OS
Molecular Weight363.20 g/mol
Exact Mass361.96
IUPAC Name1-(4-bromophenyl)sulfanyl-4-methoxy-2-(trifluoromethyl)benzene
SMILESCOc1ccc(Sc2ccc(Br)cc2)c(C(F)(F)F)c1
InChIInChI=1S/C14H10BrF3OS/c1-19-10-4-7-13(12(8-10)14(16,17)18)20-11-5-2-9(15)3-6-11/h2-8H,1H3
InChIKeyXRQSXFNCMDZTKA-UHFFFAOYSA-N
XLogP5.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.20
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-methoxyphenyl)sulfanyl-3-(trifluoromethyl)aniline
CID 60926562
4-bromo-1-(4-ethylphenyl)sulfanyl-2-(trifluoromethyl)benzene
CID 91877716
4-bromo-1-(4-methoxyphenyl)sulfanyl-2-methylbenzene
CID 91877415
ethyl 4-(4-bromophenyl)sulfanyl-3-(trifluoromethyl)benzoate
CID 91877580
4-bromo-1-(4-methoxyphenyl)-2-(trifluoromethyl)benzene
CID 164894616
1-[5-bromo-2-(4-methoxyphenyl)sulfanylphenyl]ethanol
CID 82972730
4-bromo-2-(trifluoromethyl)-1-(trifluoromethylsulfanyl)benzene
CID 75406354
4-methoxy-1-propan-2-yl-2-(trifluoromethyl)benzene
CID 20755055
4-methoxy-2-(trifluoromethyl)aniline
CID 22601721
N-[1-(4-bromothiophen-2-yl)ethyl]-4-methoxy-2-(trifluoromethyl)aniline
CID 107353986
2-(4-hydroxyphenyl)sulfanyl-5-methoxyphenol
CID 91879746
[4-methoxy-2-(trifluoromethyl)phenyl]methanethiol
CID 162580315

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)sulfanyl-4-methoxy-2-(trifluoromethyl)benzene?
The IUPAC name of 1-(4-bromophenyl)sulfanyl-4-methoxy-2-(trifluoromethyl)benzene (CID 91877399) is 1-(4-bromophenyl)sulfanyl-4-methoxy-2-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(4-bromophenyl)sulfanyl-4-methoxy-2-(trifluoromethyl)benzene?
The canonical SMILES for 1-(4-bromophenyl)sulfanyl-4-methoxy-2-(trifluoromethyl)benzene is COc1ccc(Sc2ccc(Br)cc2)c(C(F)(F)F)c1.
What is the InChIKey of 1-(4-bromophenyl)sulfanyl-4-methoxy-2-(trifluoromethyl)benzene?
The InChIKey is XRQSXFNCMDZTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF3OS/c1-19-10-4-7-13(12(8-10)14(16,17)18)20-11-5-2-9(15)3-6-11/h2-8H,1H3.
What are the key properties of 1-(4-bromophenyl)sulfanyl-4-methoxy-2-(trifluoromethyl)benzene?
1-(4-bromophenyl)sulfanyl-4-methoxy-2-(trifluoromethyl)benzene has a molecular weight of 363.20 g/mol, XLogP of 5.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)sulfanyl-4-methoxy-2-(trifluoromethyl)benzene is sourced from PubChem (CID 91877399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).