4-bromo-2-chloro-1-(difluoromethoxy)benzene

C7H4BrClF2O — CID 46311538

IUPAC4-bromo-2-chloro-1-(difluoromethoxy)benzene
SMILESFC(F)Oc1ccc(Br)cc1Cl
InChIInChI=1S/C7H4BrClF2O/c8-4-1-2-6(5(9)3-4)12-7(10)11/h1-3,7H
InChIKeyDWKPACZUZNQYSQ-UHFFFAOYSA-N
MW257.46 g/mol
LogP3.70
Rot. Bonds2

About 4-bromo-2-chloro-1-(difluoromethoxy)benzene

4-bromo-2-chloro-1-(difluoromethoxy)benzene (PubChem CID 46311538) has the molecular formula C7H4BrClF2O and a molecular weight of 257.46 g/mol. Its IUPAC name is 4-bromo-2-chloro-1-(difluoromethoxy)benzene.

Molecular Properties

Compound Name4-bromo-2-chloro-1-(difluoromethoxy)benzene
PubChem CID46311538
Molecular FormulaC7H4BrClF2O
Molecular Weight257.46 g/mol
Exact Mass255.91
IUPAC Name4-bromo-2-chloro-1-(difluoromethoxy)benzene
SMILESFC(F)Oc1ccc(Br)cc1Cl
InChIInChI=1S/C7H4BrClF2O/c8-4-1-2-6(5(9)3-4)12-7(10)11/h1-3,7H
InChIKeyDWKPACZUZNQYSQ-UHFFFAOYSA-N
XLogP3.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.46
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-2-chloro-1-pentan-3-yloxybenzene
CID 68867581
(4-bromo-2-chlorophenyl) 4-(difluoromethoxy)-3-methoxybenzoate
CID 7934887
2-(4-bromo-2-chlorophenoxy)-3,3,3-trifluoropropan-1-amine
CID 43752950
4-bromo-2-(difluoromethoxy)-1-methylbenzene
CID 45158712
1-(4-bromo-2-chlorophenyl)-N-[[2-(difluoromethoxy)phenyl]methyl]methanamine
CID 115595287
1-(4-bromo-2-chlorophenyl)-3-[2-(difluoromethoxy)-4-methylphenyl]urea
CID 1296841
1-bromo-4-chloro-5-(difluoromethoxy)-2-fluorobenzene
CID 75365418
methyl (2R)-2-(4-bromo-2-chlorophenoxy)propanoate
CID 40721204
4-bromo-2-chloro-1-[(2-methylpropan-2-yl)oxy]benzene
CID 59637134
2-[3-chloro-4-(difluoromethoxy)phenyl]propane-2-thiol
CID 147446487
3-(4-bromo-2-chlorophenoxy)butanoic acid
CID 43536124
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]hydroxylamine
CID 82686505

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-1-(difluoromethoxy)benzene?
The IUPAC name of 4-bromo-2-chloro-1-(difluoromethoxy)benzene (CID 46311538) is 4-bromo-2-chloro-1-(difluoromethoxy)benzene.
What is the SMILES notation for 4-bromo-2-chloro-1-(difluoromethoxy)benzene?
The canonical SMILES for 4-bromo-2-chloro-1-(difluoromethoxy)benzene is FC(F)Oc1ccc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2-chloro-1-(difluoromethoxy)benzene?
The InChIKey is DWKPACZUZNQYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrClF2O/c8-4-1-2-6(5(9)3-4)12-7(10)11/h1-3,7H.
What are the key properties of 4-bromo-2-chloro-1-(difluoromethoxy)benzene?
4-bromo-2-chloro-1-(difluoromethoxy)benzene has a molecular weight of 257.46 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-1-(difluoromethoxy)benzene is sourced from PubChem (CID 46311538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).