1,2,5-tribromo-3-(difluoromethoxy)benzene

C7H3Br3F2O — CID 118826351

IUPAC1,2,5-tribromo-3-(difluoromethoxy)benzene
SMILESFC(F)Oc1cc(Br)cc(Br)c1Br
InChIInChI=1S/C7H3Br3F2O/c8-3-1-4(9)6(10)5(2-3)13-7(11)12/h1-2,7H
InChIKeyNEXYNWAWRCRRDG-UHFFFAOYSA-N
MW380.81 g/mol
LogP4.58
Rot. Bonds2

About 1,2,5-tribromo-3-(difluoromethoxy)benzene

1,2,5-tribromo-3-(difluoromethoxy)benzene (PubChem CID 118826351) has the molecular formula C7H3Br3F2O and a molecular weight of 380.81 g/mol. Its IUPAC name is 1,2,5-tribromo-3-(difluoromethoxy)benzene.

Molecular Properties

Compound Name1,2,5-tribromo-3-(difluoromethoxy)benzene
PubChem CID118826351
Molecular FormulaC7H3Br3F2O
Molecular Weight380.81 g/mol
Exact Mass377.77
IUPAC Name1,2,5-tribromo-3-(difluoromethoxy)benzene
SMILESFC(F)Oc1cc(Br)cc(Br)c1Br
InChIInChI=1S/C7H3Br3F2O/c8-3-1-4(9)6(10)5(2-3)13-7(11)12/h1-2,7H
InChIKeyNEXYNWAWRCRRDG-UHFFFAOYSA-N
XLogP4.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.81
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2,5-dibromo-1-(difluoromethoxy)-3-(difluoromethyl)benzene
CID 118995669
1,5-dibromo-3-(difluoromethoxy)-2-methoxybenzene
CID 119008038
2-azido-1,5-dibromo-3-(difluoromethoxy)benzene
CID 152615033
2-[3,4-dibromo-5-(difluoromethoxy)phenyl]acetonitrile
CID 121227965
(E)-3-[2,4-dibromo-6-(difluoromethoxy)phenyl]prop-2-enoic acid
CID 119009070
4-bromo-2-(difluoromethoxy)-1-methylbenzene
CID 45158712
1,2-dibromo-5-(difluoromethoxy)-3-(fluoromethoxy)benzene
CID 118841497
1-bromo-2-(difluoromethoxy)-4-fluorobenzene
CID 45158711
4-bromo-2-(difluoromethoxy)-6-methylbenzoic acid
CID 131547586
N-[2,4-dibromo-6-(difluoromethoxy)phenyl]-4-methylbenzenesulfonamide
CID 169371215
4-bromo-3-(difluoromethoxy)benzaldehyde
CID 170359480
5-bromo-1-(difluoromethoxy)-2-methyl-3-nitrobenzene
CID 118805782

Frequently Asked Questions

What is the IUPAC name of 1,2,5-tribromo-3-(difluoromethoxy)benzene?
The IUPAC name of 1,2,5-tribromo-3-(difluoromethoxy)benzene (CID 118826351) is 1,2,5-tribromo-3-(difluoromethoxy)benzene.
What is the SMILES notation for 1,2,5-tribromo-3-(difluoromethoxy)benzene?
The canonical SMILES for 1,2,5-tribromo-3-(difluoromethoxy)benzene is FC(F)Oc1cc(Br)cc(Br)c1Br.
What is the InChIKey of 1,2,5-tribromo-3-(difluoromethoxy)benzene?
The InChIKey is NEXYNWAWRCRRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Br3F2O/c8-3-1-4(9)6(10)5(2-3)13-7(11)12/h1-2,7H.
What are the key properties of 1,2,5-tribromo-3-(difluoromethoxy)benzene?
1,2,5-tribromo-3-(difluoromethoxy)benzene has a molecular weight of 380.81 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5-tribromo-3-(difluoromethoxy)benzene is sourced from PubChem (CID 118826351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).