1-bromo-3-[2-bromo-2-[2-(difluoromethoxy)phenyl]ethyl]benzene

C15H12Br2F2O — CID 63531588

IUPAC1-bromo-3-[2-bromo-2-[2-(difluoromethoxy)phenyl]ethyl]benzene
SMILESFC(F)Oc1ccccc1C(Br)Cc1cccc(Br)c1
InChIInChI=1S/C15H12Br2F2O/c16-11-5-3-4-10(8-11)9-13(17)12-6-1-2-7-14(12)20-15(18)19/h1-8,13,15H,9H2
InChIKeyKQDTZFOTDHLMKQ-UHFFFAOYSA-N
MW406.06 g/mol
LogP5.73
Rot. Bonds5

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

1-bromo-3-[2-bromo-2-[2-(difluoromethoxy)phenyl]ethyl]benzene (PubChem CID 63531588) has the molecular formula C15H12Br2F2O and a molecular weight of 406.06 g/mol. Its IUPAC name is 1-bromo-3-[2-bromo-2-[2-(difluoromethoxy)phenyl]ethyl]benzene.

Molecular Properties

Compound Name1-bromo-3-[2-bromo-2-[2-(difluoromethoxy)phenyl]ethyl]benzene
PubChem CID63531588
Molecular FormulaC15H12Br2F2O
Molecular Weight406.06 g/mol
Exact Mass403.92
IUPAC Name1-bromo-3-[2-bromo-2-[2-(difluoromethoxy)phenyl]ethyl]benzene
SMILESFC(F)Oc1ccccc1C(Br)Cc1cccc(Br)c1
InChIInChI=1S/C15H12Br2F2O/c16-11-5-3-4-10(8-11)9-13(17)12-6-1-2-7-14(12)20-15(18)19/h1-8,13,15H,9H2
InChIKeyKQDTZFOTDHLMKQ-UHFFFAOYSA-N
XLogP5.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.06
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 262267
CID 262267
CID 378886
CID 378886
CID 4034005
CID 4034005
CID 22601752
CID 22601752
CID 608315
CID 608315
CID 2757035
CID 2757035
CID 44721340
CID 44721340
CID 2736998
CID 2736998
CID 2777254
CID 2777254
CID 4962739
CID 4962739
CID 3009216
CID 3009216
CID 45258443
CID 45258443

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-[2-bromo-2-[2-(difluoromethoxy)phenyl]ethyl]benzene?
The IUPAC name of 1-bromo-3-[2-bromo-2-[2-(difluoromethoxy)phenyl]ethyl]benzene (CID 63531588) is 1-bromo-3-[2-bromo-2-[2-(difluoromethoxy)phenyl]ethyl]benzene.
What is the SMILES notation for 1-bromo-3-[2-bromo-2-[2-(difluoromethoxy)phenyl]ethyl]benzene?
The canonical SMILES for 1-bromo-3-[2-bromo-2-[2-(difluoromethoxy)phenyl]ethyl]benzene is FC(F)Oc1ccccc1C(Br)Cc1cccc(Br)c1.
What is the InChIKey of 1-bromo-3-[2-bromo-2-[2-(difluoromethoxy)phenyl]ethyl]benzene?
The InChIKey is KQDTZFOTDHLMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2F2O/c16-11-5-3-4-10(8-11)9-13(17)12-6-1-2-7-14(12)20-15(18)19/h1-8,13,15H,9H2.
What are the key properties of 1-bromo-3-[2-bromo-2-[2-(difluoromethoxy)phenyl]ethyl]benzene?
1-bromo-3-[2-bromo-2-[2-(difluoromethoxy)phenyl]ethyl]benzene has a molecular weight of 406.06 g/mol, XLogP of 5.73, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-[2-bromo-2-[2-(difluoromethoxy)phenyl]ethyl]benzene is sourced from PubChem (CID 63531588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).