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

C7H4BrF3O — CID 45158711

IUPAC1-bromo-2-(difluoromethoxy)-4-fluorobenzene
SMILESFc1ccc(Br)c(OC(F)F)c1
InChIInChI=1S/C7H4BrF3O/c8-5-2-1-4(9)3-6(5)12-7(10)11/h1-3,7H
InChIKeyBZXMUSAMMGLTMI-UHFFFAOYSA-N
MW241.01 g/mol
LogP3.19
Rot. Bonds2

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

1-bromo-2-(difluoromethoxy)-4-fluorobenzene (PubChem CID 45158711) has the molecular formula C7H4BrF3O and a molecular weight of 241.01 g/mol. Its IUPAC name is 1-bromo-2-(difluoromethoxy)-4-fluorobenzene.

Molecular Properties

Compound Name1-bromo-2-(difluoromethoxy)-4-fluorobenzene
PubChem CID45158711
Molecular FormulaC7H4BrF3O
Molecular Weight241.01 g/mol
Exact Mass239.94
IUPAC Name1-bromo-2-(difluoromethoxy)-4-fluorobenzene
SMILESFc1ccc(Br)c(OC(F)F)c1
InChIInChI=1S/C7H4BrF3O/c8-5-2-1-4(9)3-6(5)12-7(10)11/h1-3,7H
InChIKeyBZXMUSAMMGLTMI-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

1-(difluoromethoxy)-2,4-difluorobenzene
CID 18344090
[4-bromo-3-(difluoromethoxy)phenyl]hydrazine
CID 130849725
4-bromo-3-(difluoromethoxy)benzaldehyde
CID 170359480
2-(difluoromethoxy)-4-fluoro-1-propan-2-ylbenzene
CID 167302491
methyl (2S)-2-(2-bromo-5-fluorophenoxy)propanoate
CID 103338122
1-(difluoromethoxy)-4-fluoro-2-methylbenzene
CID 46311597
2-(difluoromethoxy)-4-fluorobenzonitrile
CID 59295388
1-bromo-4-(3-chloropropyl)-2-(difluoromethoxy)benzene
CID 134619284
4-bromo-3-(difluoromethoxy)benzoic acid;ethane
CID 144822907
1,3-dibromo-4-(difluoromethoxy)-2-methylsulfanylbenzene
CID 119024321
1-bromo-4-fluoro-2-[(2-methylpropan-2-yl)oxy]benzene
CID 101467707
2-(2-bromo-5-fluorophenoxy)-N-propan-2-ylpropanamide
CID 81496333

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(difluoromethoxy)-4-fluorobenzene?
The IUPAC name of 1-bromo-2-(difluoromethoxy)-4-fluorobenzene (CID 45158711) is 1-bromo-2-(difluoromethoxy)-4-fluorobenzene.
What is the SMILES notation for 1-bromo-2-(difluoromethoxy)-4-fluorobenzene?
The canonical SMILES for 1-bromo-2-(difluoromethoxy)-4-fluorobenzene is Fc1ccc(Br)c(OC(F)F)c1.
What is the InChIKey of 1-bromo-2-(difluoromethoxy)-4-fluorobenzene?
The InChIKey is BZXMUSAMMGLTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrF3O/c8-5-2-1-4(9)3-6(5)12-7(10)11/h1-3,7H.
What are the key properties of 1-bromo-2-(difluoromethoxy)-4-fluorobenzene?
1-bromo-2-(difluoromethoxy)-4-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 1-bromo-2-(difluoromethoxy)-4-fluorobenzene is sourced from PubChem (CID 45158711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).