2-bromo-4-(1-bromo-2,2-difluoroethyl)-1-(2-methoxyethoxy)benzene

C11H12Br2F2O2 — CID 103514667

IUPAC2-bromo-4-(1-bromo-2,2-difluoroethyl)-1-(2-methoxyethoxy)benzene
SMILESCOCCOc1ccc(C(Br)C(F)F)cc1Br
InChIInChI=1S/C11H12Br2F2O2/c1-16-4-5-17-9-3-2-7(6-8(9)12)10(13)11(14)15/h2-3,6,10-11H,4-5H2,1H3
InChIKeyMDMSVCNPHHXVNH-UHFFFAOYSA-N
MW374.02 g/mol
LogP4.18
Rot. Bonds6

About 2-bromo-4-(1-bromo-2,2-difluoroethyl)-1-(2-methoxyethoxy)benzene

2-bromo-4-(1-bromo-2,2-difluoroethyl)-1-(2-methoxyethoxy)benzene (PubChem CID 103514667) has the molecular formula C11H12Br2F2O2 and a molecular weight of 374.02 g/mol. Its IUPAC name is 2-bromo-4-(1-bromo-2,2-difluoroethyl)-1-(2-methoxyethoxy)benzene.

Molecular Properties

Compound Name2-bromo-4-(1-bromo-2,2-difluoroethyl)-1-(2-methoxyethoxy)benzene
PubChem CID103514667
Molecular FormulaC11H12Br2F2O2
Molecular Weight374.02 g/mol
Exact Mass371.92
IUPAC Name2-bromo-4-(1-bromo-2,2-difluoroethyl)-1-(2-methoxyethoxy)benzene
SMILESCOCCOc1ccc(C(Br)C(F)F)cc1Br
InChIInChI=1S/C11H12Br2F2O2/c1-16-4-5-17-9-3-2-7(6-8(9)12)10(13)11(14)15/h2-3,6,10-11H,4-5H2,1H3
InChIKeyMDMSVCNPHHXVNH-UHFFFAOYSA-N
XLogP4.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.02
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-[3-bromo-4-(2-methoxyethoxy)phenyl]ethanamine
CID 62911727
2-bromo-4-[bromo-(3-chlorophenyl)methyl]-1-(2-methoxyethoxy)benzene
CID 104662297
(1S)-1-[3-bromo-4-(2-methoxyethoxy)phenyl]propan-1-ol
CID 104663507
2-bromo-4-(1-bromopentyl)-1-(2-methoxyethoxy)benzene
CID 104662326
[3-bromo-4-(2-methoxyethoxy)phenyl]-(4-methylphenyl)methanol
CID 104661341
3-[bromo-[3-bromo-4-(2-methoxyethoxy)phenyl]methyl]-2-methylfuran
CID 104662353
1-[3-bromo-4-(2-methoxyethoxy)phenyl]-N-ethylpropan-1-amine
CID 104658275
2-bromo-4-(1-bromo-2-cyclobutylethyl)-1-(2-methoxyethoxy)benzene
CID 103166047
[3-bromo-4-(2-methoxyethoxy)phenyl]-(2-fluorophenyl)methanol
CID 104661372
2-bromo-5-[[3-bromo-4-(2-methoxyethoxy)phenyl]-chloromethyl]thiophene
CID 104662253
(1S)-1-[3-bromo-4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine
CID 103403037
4-(1-bromo-2,2-difluoroethyl)-2-chloro-1-methoxybenzene
CID 103514473

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(1-bromo-2,2-difluoroethyl)-1-(2-methoxyethoxy)benzene?
The IUPAC name of 2-bromo-4-(1-bromo-2,2-difluoroethyl)-1-(2-methoxyethoxy)benzene (CID 103514667) is 2-bromo-4-(1-bromo-2,2-difluoroethyl)-1-(2-methoxyethoxy)benzene.
What is the SMILES notation for 2-bromo-4-(1-bromo-2,2-difluoroethyl)-1-(2-methoxyethoxy)benzene?
The canonical SMILES for 2-bromo-4-(1-bromo-2,2-difluoroethyl)-1-(2-methoxyethoxy)benzene is COCCOc1ccc(C(Br)C(F)F)cc1Br.
What is the InChIKey of 2-bromo-4-(1-bromo-2,2-difluoroethyl)-1-(2-methoxyethoxy)benzene?
The InChIKey is MDMSVCNPHHXVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Br2F2O2/c1-16-4-5-17-9-3-2-7(6-8(9)12)10(13)11(14)15/h2-3,6,10-11H,4-5H2,1H3.
What are the key properties of 2-bromo-4-(1-bromo-2,2-difluoroethyl)-1-(2-methoxyethoxy)benzene?
2-bromo-4-(1-bromo-2,2-difluoroethyl)-1-(2-methoxyethoxy)benzene has a molecular weight of 374.02 g/mol, XLogP of 4.18, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(1-bromo-2,2-difluoroethyl)-1-(2-methoxyethoxy)benzene is sourced from PubChem (CID 103514667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).