4-bromo-7-chloro-2-fluorodibenzothiophene

C12H5BrClFS — CID 155484362

IUPAC4-bromo-7-chloro-2-fluorodibenzothiophene
SMILESFc1cc(Br)c2sc3cc(Cl)ccc3c2c1
InChIInChI=1S/C12H5BrClFS/c13-10-5-7(15)4-9-8-2-1-6(14)3-11(8)16-12(9)10/h1-5H
InChIKeyYFGSEHXBKCQFNC-UHFFFAOYSA-N
MW315.59 g/mol
LogP5.61
Rot. Bonds

About 4-bromo-7-chloro-2-fluorodibenzothiophene

4-bromo-7-chloro-2-fluorodibenzothiophene (PubChem CID 155484362) has the molecular formula C12H5BrClFS and a molecular weight of 315.59 g/mol. Its IUPAC name is 4-bromo-7-chloro-2-fluorodibenzothiophene.

Molecular Properties

Compound Name4-bromo-7-chloro-2-fluorodibenzothiophene
PubChem CID155484362
Molecular FormulaC12H5BrClFS
Molecular Weight315.59 g/mol
Exact Mass313.90
IUPAC Name4-bromo-7-chloro-2-fluorodibenzothiophene
SMILESFc1cc(Br)c2sc3cc(Cl)ccc3c2c1
InChIInChI=1S/C12H5BrClFS/c13-10-5-7(15)4-9-8-2-1-6(14)3-11(8)16-12(9)10/h1-5H
InChIKeyYFGSEHXBKCQFNC-UHFFFAOYSA-N
XLogP5.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.59
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-Bromodibenzothiophene
CID 458352
2-((5-Bromo-2-fluorophenyl)chloromethyl)benzo(b)thiophene
CID 24988171
3-Bromo-2-(4-chlorophenyl)-1-benzothiophene
CID 134860286
3-Bromo-7-chloro-2-(trifluoromethyl)dibenzothiophene
CID 21894879
7-Bromo-3-chloro-2-(trifluoromethyl)dibenzothiophene
CID 21894906
7-Bromo-3-chloro-4-(trifluoromethyl)dibenzothiophene
CID 21895004
3-Bromo-7-chloro-4-(trifluoromethyl)dibenzothiophene
CID 21895027
3-Bromo-7-chloro-2,4-bis(trifluoromethyl)dibenzothiophene
CID 21895079
3-Bromomethyl-6-chloro-5-fluoro-benzo[b]thiophene
CID 57578924
2-[(5-Bromo-2-chlorophenyl)methyl]-5-fluoro-1-benzothiophene
CID 66607883
2-[(5-Bromo-2-chlorophenyl)methyl]-7-fluoro-1-benzothiophene
CID 66608056
2-[(5-Bromo-2-chlorophenyl)methyl]-4-fluoro-1-benzothiophene
CID 66608195

Frequently Asked Questions

What is the IUPAC name of 4-bromo-7-chloro-2-fluorodibenzothiophene?
The IUPAC name of 4-bromo-7-chloro-2-fluorodibenzothiophene (CID 155484362) is 4-bromo-7-chloro-2-fluorodibenzothiophene.
What is the SMILES notation for 4-bromo-7-chloro-2-fluorodibenzothiophene?
The canonical SMILES for 4-bromo-7-chloro-2-fluorodibenzothiophene is Fc1cc(Br)c2sc3cc(Cl)ccc3c2c1.
What is the InChIKey of 4-bromo-7-chloro-2-fluorodibenzothiophene?
The InChIKey is YFGSEHXBKCQFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5BrClFS/c13-10-5-7(15)4-9-8-2-1-6(14)3-11(8)16-12(9)10/h1-5H.
What are the key properties of 4-bromo-7-chloro-2-fluorodibenzothiophene?
4-bromo-7-chloro-2-fluorodibenzothiophene has a molecular weight of 315.59 g/mol, XLogP of 5.61, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-7-chloro-2-fluorodibenzothiophene is sourced from PubChem (CID 155484362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).