1,3-dibromo-4-(difluoromethoxy)-2-methylsulfanylbenzene

C8H6Br2F2OS — CID 119024321

IUPAC1,3-dibromo-4-(difluoromethoxy)-2-methylsulfanylbenzene
SMILESCSc1c(Br)ccc(OC(F)F)c1Br
InChIInChI=1S/C8H6Br2F2OS/c1-14-7-4(9)2-3-5(6(7)10)13-8(11)12/h2-3,8H,1H3
InChIKeyFSBWINCLOPOFPV-UHFFFAOYSA-N
MW348.01 g/mol
LogP4.53
Rot. Bonds3

About 1,3-dibromo-4-(difluoromethoxy)-2-methylsulfanylbenzene

1,3-dibromo-4-(difluoromethoxy)-2-methylsulfanylbenzene (PubChem CID 119024321) has the molecular formula C8H6Br2F2OS and a molecular weight of 348.01 g/mol. Its IUPAC name is 1,3-dibromo-4-(difluoromethoxy)-2-methylsulfanylbenzene.

Molecular Properties

Compound Name1,3-dibromo-4-(difluoromethoxy)-2-methylsulfanylbenzene
PubChem CID119024321
Molecular FormulaC8H6Br2F2OS
Molecular Weight348.01 g/mol
Exact Mass345.85
IUPAC Name1,3-dibromo-4-(difluoromethoxy)-2-methylsulfanylbenzene
SMILESCSc1c(Br)ccc(OC(F)F)c1Br
InChIInChI=1S/C8H6Br2F2OS/c1-14-7-4(9)2-3-5(6(7)10)13-8(11)12/h2-3,8H,1H3
InChIKeyFSBWINCLOPOFPV-UHFFFAOYSA-N
XLogP4.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.01
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-dibromo-4-(difluoromethoxy)-3-methylbenzene
CID 118820826
1-bromo-2-(difluoromethoxy)-4-fluorobenzene
CID 45158711
1,3-dichloro-4-(difluoromethoxy)-2-methylsulfanylbenzene
CID 119005607
2,3-dibromo-1-(difluoromethoxy)-4-iodobenzene
CID 118819083
1,2-dibromo-4-(difluoromethoxy)-3-(trifluoromethyl)benzene
CID 118837715
1-bromo-4-(difluoromethoxy)-2-methylsulfanylbenzene
CID 119015899
1-[3-bromo-4-(difluoromethoxy)-2-fluorophenyl]ethanone
CID 171000586
1-bromo-2-chloro-3-methylsulfanyl-4-(1,1,2,2-tetrafluoroethoxy)benzene
CID 164578579
1-bromo-3-fluoro-2-methylsulfanyl-4-(trifluoromethoxy)benzene
CID 171033271
1-bromo-3-(bromomethyl)-4-(difluoromethoxy)-2-fluorobenzene
CID 118141950
methyl 2,3-dibromo-6-(difluoromethoxy)benzoate
CID 134648331
[3-bromo-6-(difluoromethoxy)-2-fluorophenyl]methanol
CID 118141988

Frequently Asked Questions

What is the IUPAC name of 1,3-dibromo-4-(difluoromethoxy)-2-methylsulfanylbenzene?
The IUPAC name of 1,3-dibromo-4-(difluoromethoxy)-2-methylsulfanylbenzene (CID 119024321) is 1,3-dibromo-4-(difluoromethoxy)-2-methylsulfanylbenzene.
What is the SMILES notation for 1,3-dibromo-4-(difluoromethoxy)-2-methylsulfanylbenzene?
The canonical SMILES for 1,3-dibromo-4-(difluoromethoxy)-2-methylsulfanylbenzene is CSc1c(Br)ccc(OC(F)F)c1Br.
What is the InChIKey of 1,3-dibromo-4-(difluoromethoxy)-2-methylsulfanylbenzene?
The InChIKey is FSBWINCLOPOFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Br2F2OS/c1-14-7-4(9)2-3-5(6(7)10)13-8(11)12/h2-3,8H,1H3.
What are the key properties of 1,3-dibromo-4-(difluoromethoxy)-2-methylsulfanylbenzene?
1,3-dibromo-4-(difluoromethoxy)-2-methylsulfanylbenzene has a molecular weight of 348.01 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibromo-4-(difluoromethoxy)-2-methylsulfanylbenzene is sourced from PubChem (CID 119024321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).