4-bromo-2-(difluoromethoxy)-1-fluorobenzene

C7H4BrF3O — CID 45158709

IUPAC4-bromo-2-(difluoromethoxy)-1-fluorobenzene
SMILESFc1ccc(Br)cc1OC(F)F
InChIInChI=1S/C7H4BrF3O/c8-4-1-2-5(9)6(3-4)12-7(10)11/h1-3,7H
InChIKeyPMRMESFXMAREHL-UHFFFAOYSA-N
MW241.01 g/mol
LogP3.19
Rot. Bonds2

About 4-bromo-2-(difluoromethoxy)-1-fluorobenzene

4-bromo-2-(difluoromethoxy)-1-fluorobenzene (PubChem CID 45158709) has the molecular formula C7H4BrF3O and a molecular weight of 241.01 g/mol. Its IUPAC name is 4-bromo-2-(difluoromethoxy)-1-fluorobenzene.

Molecular Properties

Compound Name4-bromo-2-(difluoromethoxy)-1-fluorobenzene
PubChem CID45158709
Molecular FormulaC7H4BrF3O
Molecular Weight241.01 g/mol
Exact Mass239.94
IUPAC Name4-bromo-2-(difluoromethoxy)-1-fluorobenzene
SMILESFc1ccc(Br)cc1OC(F)F
InChIInChI=1S/C7H4BrF3O/c8-4-1-2-5(9)6(3-4)12-7(10)11/h1-3,7H
InChIKeyPMRMESFXMAREHL-UHFFFAOYSA-N
XLogP3.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.01
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-Bromoanisole
CID 7730
2-Bromoanisole
CID 11358
3-Bromoanisole
CID 16971
Benzene, 2-bromo-1,4-dimethoxy-
CID 91353
(Trifluoromethoxy)benzene
CID 68010
4-Bromo-2-iodo-1-methoxybenzene
CID 10979904
(Difluoromethoxy)benzene
CID 68015
3-Bromodiphenyl ether
CID 96165
4-(Trifluoromethoxy)fluorobenzene
CID 67698
2-Bromo-4-fluoroanisole
CID 136292
Benzene, 1,3-dibromo-2-methoxy-
CID 181584
1-Bromo-3-(trifluoromethoxy)benzene
CID 519964

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(difluoromethoxy)-1-fluorobenzene?
The IUPAC name of 4-bromo-2-(difluoromethoxy)-1-fluorobenzene (CID 45158709) is 4-bromo-2-(difluoromethoxy)-1-fluorobenzene.
What is the SMILES notation for 4-bromo-2-(difluoromethoxy)-1-fluorobenzene?
The canonical SMILES for 4-bromo-2-(difluoromethoxy)-1-fluorobenzene is Fc1ccc(Br)cc1OC(F)F.
What is the InChIKey of 4-bromo-2-(difluoromethoxy)-1-fluorobenzene?
The InChIKey is PMRMESFXMAREHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrF3O/c8-4-1-2-5(9)6(3-4)12-7(10)11/h1-3,7H.
What are the key properties of 4-bromo-2-(difluoromethoxy)-1-fluorobenzene?
4-bromo-2-(difluoromethoxy)-1-fluorobenzene has a molecular weight of 241.01 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(difluoromethoxy)-1-fluorobenzene is sourced from PubChem (CID 45158709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).