1-bromo-5-(3,3-dibromoprop-2-enoxy)-3-fluoro-2-methoxybenzene

C10H8Br3FO2 — CID 18725414

IUPAC1-bromo-5-(3,3-dibromoprop-2-enoxy)-3-fluoro-2-methoxybenzene
SMILESCOc1c(F)cc(OCC=C(Br)Br)cc1Br
InChIInChI=1S/C10H8Br3FO2/c1-15-10-7(11)4-6(5-8(10)14)16-3-2-9(12)13/h2,4-5H,3H2,1H3
InChIKeyAZPXGEASZSKDLL-UHFFFAOYSA-N
MW418.88 g/mol
LogP4.61
Rot. Bonds4

About 1-bromo-5-(3,3-dibromoprop-2-enoxy)-3-fluoro-2-methoxybenzene

1-bromo-5-(3,3-dibromoprop-2-enoxy)-3-fluoro-2-methoxybenzene (PubChem CID 18725414) has the molecular formula C10H8Br3FO2 and a molecular weight of 418.88 g/mol. Its IUPAC name is 1-bromo-5-(3,3-dibromoprop-2-enoxy)-3-fluoro-2-methoxybenzene.

Molecular Properties

Compound Name1-bromo-5-(3,3-dibromoprop-2-enoxy)-3-fluoro-2-methoxybenzene
PubChem CID18725414
Molecular FormulaC10H8Br3FO2
Molecular Weight418.88 g/mol
Exact Mass415.81
IUPAC Name1-bromo-5-(3,3-dibromoprop-2-enoxy)-3-fluoro-2-methoxybenzene
SMILESCOc1c(F)cc(OCC=C(Br)Br)cc1Br
InChIInChI=1S/C10H8Br3FO2/c1-15-10-7(11)4-6(5-8(10)14)16-3-2-9(12)13/h2,4-5H,3H2,1H3
InChIKeyAZPXGEASZSKDLL-UHFFFAOYSA-N
XLogP4.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.88
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[6-[2-bromo-4-(3,3-dibromoprop-2-enoxy)-6-fluorophenoxy]hexoxy]propan-2-imine
CID 22963879
2-[2,6-dibromo-4-(3,3-dibromoprop-2-enoxy)phenoxy]ethanamine
CID 22006865
N-[2-[4-(3,3-dibromoprop-2-enoxy)-2,6-difluorophenoxy]ethoxy]propan-2-imine
CID 22963408
4-(3,3-dibromoprop-2-enoxy)-2-fluoro-6-propan-2-ylphenol
CID 54056619
2-(3-bromopropoxy)-1-chloro-5-(3,3-dibromoprop-2-enoxy)-3-fluorobenzene
CID 54485733
N-[3-[2,6-dibromo-4-(3,3-dibromoprop-2-enoxy)phenoxy]propoxy]propan-2-imine
CID 22963493
1-bromo-5-(3,3-dichloroprop-2-enoxy)-2-methoxy-3-(trifluoromethyl)benzene
CID 18725418
N-[4-[4-(3,3-dibromoprop-2-enoxy)-2-fluoro-6-methylphenoxy]butoxy]propan-2-imine
CID 22963690
N-[4-[2-bromo-4-(3,3-dichloroprop-2-enoxy)-6-fluorophenoxy]butoxy]propan-2-imine
CID 22963632
N-[3-[2-bromo-4-(3,3-dichloroprop-2-enoxy)-6-fluorophenoxy]propoxy]propan-2-imine
CID 22963509
1,3-dichloro-2,5-bis(3,3-dibromoprop-2-enoxy)benzene
CID 54158760
N-[2-[4-(3,3-dibromoprop-2-enoxy)-2-fluoro-6-propan-2-ylphenoxy]ethoxy]propan-2-imine
CID 22963418

Frequently Asked Questions

What is the IUPAC name of 1-bromo-5-(3,3-dibromoprop-2-enoxy)-3-fluoro-2-methoxybenzene?
The IUPAC name of 1-bromo-5-(3,3-dibromoprop-2-enoxy)-3-fluoro-2-methoxybenzene (CID 18725414) is 1-bromo-5-(3,3-dibromoprop-2-enoxy)-3-fluoro-2-methoxybenzene.
What is the SMILES notation for 1-bromo-5-(3,3-dibromoprop-2-enoxy)-3-fluoro-2-methoxybenzene?
The canonical SMILES for 1-bromo-5-(3,3-dibromoprop-2-enoxy)-3-fluoro-2-methoxybenzene is COc1c(F)cc(OCC=C(Br)Br)cc1Br.
What is the InChIKey of 1-bromo-5-(3,3-dibromoprop-2-enoxy)-3-fluoro-2-methoxybenzene?
The InChIKey is AZPXGEASZSKDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Br3FO2/c1-15-10-7(11)4-6(5-8(10)14)16-3-2-9(12)13/h2,4-5H,3H2,1H3.
What are the key properties of 1-bromo-5-(3,3-dibromoprop-2-enoxy)-3-fluoro-2-methoxybenzene?
1-bromo-5-(3,3-dibromoprop-2-enoxy)-3-fluoro-2-methoxybenzene has a molecular weight of 418.88 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-5-(3,3-dibromoprop-2-enoxy)-3-fluoro-2-methoxybenzene is sourced from PubChem (CID 18725414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).