4-bromo-1-methyl-2-[2-(trifluoromethylsulfanyl)ethoxy]benzene

C10H10BrF3OS — CID 107284054

IUPAC4-bromo-1-methyl-2-[2-(trifluoromethylsulfanyl)ethoxy]benzene
SMILESCc1ccc(Br)cc1OCCSC(F)(F)F
InChIInChI=1S/C10H10BrF3OS/c1-7-2-3-8(11)6-9(7)15-4-5-16-10(12,13)14/h2-3,6H,4-5H2,1H3
InChIKeyBGQZRFXQKDFCBK-UHFFFAOYSA-N
MW315.15 g/mol
LogP4.39
Rot. Bonds4

About 4-bromo-1-methyl-2-[2-(trifluoromethylsulfanyl)ethoxy]benzene

4-bromo-1-methyl-2-[2-(trifluoromethylsulfanyl)ethoxy]benzene (PubChem CID 107284054) has the molecular formula C10H10BrF3OS and a molecular weight of 315.15 g/mol. Its IUPAC name is 4-bromo-1-methyl-2-[2-(trifluoromethylsulfanyl)ethoxy]benzene.

Molecular Properties

Compound Name4-bromo-1-methyl-2-[2-(trifluoromethylsulfanyl)ethoxy]benzene
PubChem CID107284054
Molecular FormulaC10H10BrF3OS
Molecular Weight315.15 g/mol
Exact Mass313.96
IUPAC Name4-bromo-1-methyl-2-[2-(trifluoromethylsulfanyl)ethoxy]benzene
SMILESCc1ccc(Br)cc1OCCSC(F)(F)F
InChIInChI=1S/C10H10BrF3OS/c1-7-2-3-8(11)6-9(7)15-4-5-16-10(12,13)14/h2-3,6H,4-5H2,1H3
InChIKeyBGQZRFXQKDFCBK-UHFFFAOYSA-N
XLogP4.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.15
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-bromo-1-methyl-2-[2-(trifluoromethoxy)ethoxy]benzene
CID 107284110
4-bromo-2-(2-ethylsulfanylethoxy)-1-methylbenzene
CID 107284056
1-[4-bromo-2-[2-(trifluoromethylsulfanyl)ethoxy]phenyl]-N-methylethanamine
CID 102947408
4-bromo-2-(3,3-dimethylbutoxy)-1-methylbenzene
CID 107283981
4-bromo-2-(2-chloroethoxy)-1-methylbenzene
CID 107283647
3-(5-bromo-2-methylphenoxy)propan-1-amine
CID 82648257
4-bromo-N-[2-(5-bromo-2-methylphenoxy)ethyl]aniline
CID 107286344
4-bromo-2-hexoxy-1-methylbenzene
CID 59244054
4-(5-bromo-2-methylphenoxy)butan-1-amine
CID 107283575
2-(2-azidoethoxy)-4-bromo-1-methylbenzene
CID 107285403
5-bromo-1-(bromomethyl)-3-methyl-2-[2-(trifluoromethylsulfanyl)ethoxy]benzene
CID 116616493
5-(5-bromo-2-methylphenoxy)pentane-1-thiol
CID 107287321

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-methyl-2-[2-(trifluoromethylsulfanyl)ethoxy]benzene?
The IUPAC name of 4-bromo-1-methyl-2-[2-(trifluoromethylsulfanyl)ethoxy]benzene (CID 107284054) is 4-bromo-1-methyl-2-[2-(trifluoromethylsulfanyl)ethoxy]benzene.
What is the SMILES notation for 4-bromo-1-methyl-2-[2-(trifluoromethylsulfanyl)ethoxy]benzene?
The canonical SMILES for 4-bromo-1-methyl-2-[2-(trifluoromethylsulfanyl)ethoxy]benzene is Cc1ccc(Br)cc1OCCSC(F)(F)F.
What is the InChIKey of 4-bromo-1-methyl-2-[2-(trifluoromethylsulfanyl)ethoxy]benzene?
The InChIKey is BGQZRFXQKDFCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF3OS/c1-7-2-3-8(11)6-9(7)15-4-5-16-10(12,13)14/h2-3,6H,4-5H2,1H3.
What are the key properties of 4-bromo-1-methyl-2-[2-(trifluoromethylsulfanyl)ethoxy]benzene?
4-bromo-1-methyl-2-[2-(trifluoromethylsulfanyl)ethoxy]benzene has a molecular weight of 315.15 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-methyl-2-[2-(trifluoromethylsulfanyl)ethoxy]benzene is sourced from PubChem (CID 107284054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).