1-bromo-2-fluoro-3-(trifluoromethylsulfanyl)benzene

C7H3BrF4S — CID 57448068

IUPAC1-bromo-2-fluoro-3-(trifluoromethylsulfanyl)benzene
SMILESFc1c(Br)cccc1SC(F)(F)F
InChIInChI=1S/C7H3BrF4S/c8-4-2-1-3-5(6(4)9)13-7(10,11)12/h1-3H
InChIKeyAXOMGTRGMHNWRG-UHFFFAOYSA-N
MW275.06 g/mol
LogP4.20
Rot. Bonds1

About 1-bromo-2-fluoro-3-(trifluoromethylsulfanyl)benzene

1-bromo-2-fluoro-3-(trifluoromethylsulfanyl)benzene (PubChem CID 57448068) has the molecular formula C7H3BrF4S and a molecular weight of 275.06 g/mol. Its IUPAC name is 1-bromo-2-fluoro-3-(trifluoromethylsulfanyl)benzene.

Molecular Properties

Compound Name1-bromo-2-fluoro-3-(trifluoromethylsulfanyl)benzene
PubChem CID57448068
Molecular FormulaC7H3BrF4S
Molecular Weight275.06 g/mol
Exact Mass273.91
IUPAC Name1-bromo-2-fluoro-3-(trifluoromethylsulfanyl)benzene
SMILESFc1c(Br)cccc1SC(F)(F)F
InChIInChI=1S/C7H3BrF4S/c8-4-2-1-3-5(6(4)9)13-7(10,11)12/h1-3H
InChIKeyAXOMGTRGMHNWRG-UHFFFAOYSA-N
XLogP4.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.06
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-fluoro-3-(trifluoromethylsulfanyl)benzene?
The IUPAC name of 1-bromo-2-fluoro-3-(trifluoromethylsulfanyl)benzene (CID 57448068) is 1-bromo-2-fluoro-3-(trifluoromethylsulfanyl)benzene.
What is the SMILES notation for 1-bromo-2-fluoro-3-(trifluoromethylsulfanyl)benzene?
The canonical SMILES for 1-bromo-2-fluoro-3-(trifluoromethylsulfanyl)benzene is Fc1c(Br)cccc1SC(F)(F)F.
What is the InChIKey of 1-bromo-2-fluoro-3-(trifluoromethylsulfanyl)benzene?
The InChIKey is AXOMGTRGMHNWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrF4S/c8-4-2-1-3-5(6(4)9)13-7(10,11)12/h1-3H.
What are the key properties of 1-bromo-2-fluoro-3-(trifluoromethylsulfanyl)benzene?
1-bromo-2-fluoro-3-(trifluoromethylsulfanyl)benzene has a molecular weight of 275.06 g/mol, XLogP of 4.20, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-fluoro-3-(trifluoromethylsulfanyl)benzene is sourced from PubChem (CID 57448068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).