1-bromo-3-[2-(difluoromethoxy)phenyl]-2-fluorobenzene

C13H8BrF3O — CID 175713970

IUPAC1-bromo-3-[2-(difluoromethoxy)phenyl]-2-fluorobenzene
SMILESFc1c(Br)cccc1-c1ccccc1OC(F)F
InChIInChI=1S/C13H8BrF3O/c14-10-6-3-5-9(12(10)15)8-4-1-2-7-11(8)18-13(16)17/h1-7,13H
InChIKeyDAFQATGTFFNUEH-UHFFFAOYSA-N
MW317.10 g/mol
LogP4.86
Rot. Bonds3

About 1-bromo-3-[2-(difluoromethoxy)phenyl]-2-fluorobenzene

1-bromo-3-[2-(difluoromethoxy)phenyl]-2-fluorobenzene (PubChem CID 175713970) has the molecular formula C13H8BrF3O and a molecular weight of 317.10 g/mol. Its IUPAC name is 1-bromo-3-[2-(difluoromethoxy)phenyl]-2-fluorobenzene.

Molecular Properties

Compound Name1-bromo-3-[2-(difluoromethoxy)phenyl]-2-fluorobenzene
PubChem CID175713970
Molecular FormulaC13H8BrF3O
Molecular Weight317.10 g/mol
Exact Mass315.97
IUPAC Name1-bromo-3-[2-(difluoromethoxy)phenyl]-2-fluorobenzene
SMILESFc1c(Br)cccc1-c1ccccc1OC(F)F
InChIInChI=1S/C13H8BrF3O/c14-10-6-3-5-9(12(10)15)8-4-1-2-7-11(8)18-13(16)17/h1-7,13H
InChIKeyDAFQATGTFFNUEH-UHFFFAOYSA-N
XLogP4.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.10
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(difluoromethoxy)-4-fluorophenyl]-2,3-difluorobenzene
CID 118838147
2-[2-(difluoromethoxy)phenyl]-1,3-dimethylbenzene
CID 151061360
2-bromo-6-(difluoromethoxy)benzaldehyde
CID 118141947
4-[2-(difluoromethoxy)phenyl]-1H-pyrazol-5-amine
CID 117322736
2-[3-(difluoromethoxy)-2-fluorophenyl]isoindole-1,3-dione
CID 168519425
1-bromo-2-(difluoromethoxy)-4-fluorobenzene
CID 45158711
2-[3-(difluoromethoxy)-2-fluorophenyl]furan
CID 168528201
1,4-dichloro-2-[2-(difluoromethoxy)phenyl]benzene
CID 119002522
2-[2-bromo-6-(difluoromethoxy)phenyl]-1H-benzimidazole
CID 168555283
1,5-bis(difluoromethoxy)naphthalene
CID 166641341
(4-bromo-3-chloro-2-fluorophenyl)-[2-(difluoromethoxy)phenyl]methanone
CID 106764270
1-bromo-3-(bromomethyl)-4-(difluoromethoxy)-2-fluorobenzene
CID 118141950

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-[2-(difluoromethoxy)phenyl]-2-fluorobenzene?
The IUPAC name of 1-bromo-3-[2-(difluoromethoxy)phenyl]-2-fluorobenzene (CID 175713970) is 1-bromo-3-[2-(difluoromethoxy)phenyl]-2-fluorobenzene.
What is the SMILES notation for 1-bromo-3-[2-(difluoromethoxy)phenyl]-2-fluorobenzene?
The canonical SMILES for 1-bromo-3-[2-(difluoromethoxy)phenyl]-2-fluorobenzene is Fc1c(Br)cccc1-c1ccccc1OC(F)F.
What is the InChIKey of 1-bromo-3-[2-(difluoromethoxy)phenyl]-2-fluorobenzene?
The InChIKey is DAFQATGTFFNUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrF3O/c14-10-6-3-5-9(12(10)15)8-4-1-2-7-11(8)18-13(16)17/h1-7,13H.
What are the key properties of 1-bromo-3-[2-(difluoromethoxy)phenyl]-2-fluorobenzene?
1-bromo-3-[2-(difluoromethoxy)phenyl]-2-fluorobenzene has a molecular weight of 317.10 g/mol, XLogP of 4.86, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-[2-(difluoromethoxy)phenyl]-2-fluorobenzene is sourced from PubChem (CID 175713970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).