1-bromo-2,4-difluoro-5-methoxybenzene;1,5-dibromo-2,4-difluorobenzene

C13H7Br3F4O — CID 160948339

IUPAC1-bromo-2,4-difluoro-5-methoxybenzene;1,5-dibromo-2,4-difluorobenzene
SMILESCOc1cc(Br)c(F)cc1F.Fc1cc(F)c(Br)cc1Br
InChIInChI=1S/C7H5BrF2O.C6H2Br2F2/c1-11-7-2-4(8)5(9)3-6(7)10;7-3-1-4(8)6(10)2-5(3)9/h2-3H,1H3;1-2H
InChIKeySVKLRVIRXRPQTE-UHFFFAOYSA-N
MW494.90 g/mol
LogP6.23
Rot. Bonds1

About 1-bromo-2,4-difluoro-5-methoxybenzene;1,5-dibromo-2,4-difluorobenzene

1-bromo-2,4-difluoro-5-methoxybenzene;1,5-dibromo-2,4-difluorobenzene (PubChem CID 160948339) has the molecular formula C13H7Br3F4O and a molecular weight of 494.90 g/mol. Its IUPAC name is 1-bromo-2,4-difluoro-5-methoxybenzene;1,5-dibromo-2,4-difluorobenzene.

Molecular Properties

Compound Name1-bromo-2,4-difluoro-5-methoxybenzene;1,5-dibromo-2,4-difluorobenzene
PubChem CID160948339
Molecular FormulaC13H7Br3F4O
Molecular Weight494.90 g/mol
Exact Mass491.80
IUPAC Name1-bromo-2,4-difluoro-5-methoxybenzene;1,5-dibromo-2,4-difluorobenzene
SMILESCOc1cc(Br)c(F)cc1F.Fc1cc(F)c(Br)cc1Br
InChIInChI=1S/C7H5BrF2O.C6H2Br2F2/c1-11-7-2-4(8)5(9)3-6(7)10;7-3-1-4(8)6(10)2-5(3)9/h2-3H,1H3;1-2H
InChIKeySVKLRVIRXRPQTE-UHFFFAOYSA-N
XLogP6.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.90
LogP ≤ 56.23
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

1-bromo-2,4-difluoro-5-methoxybenzene
CID 68809379
sodium;4-bromo-5-fluoro-2-methoxyaniline;hydride
CID 175500910
2-bromo-4-fluoro-5-methoxybenzenethiol
CID 171006071
4-bromo-5-fluoro-2-methoxyphenol;formaldehyde
CID 174569223
1-bromo-4-ethoxy-2-fluoro-5-methoxybenzene
CID 69098703
1-N-(5-bromo-2,4-difluorophenyl)-4-fluoro-5-methoxybenzene-1,2-diamine
CID 102852460
1-bromo-2,4-difluoro-5-propoxybenzene
CID 125115840
1-bromo-2-fluoro-5-methoxy-4-(2,2,2-trifluoroethoxy)benzene
CID 155923682
1-bromo-2-fluoro-5-methoxy-4-(2-methylpropoxy)benzene
CID 155923679
2-(4-bromo-5-fluoro-2-methoxyphenyl)acetonitrile
CID 84802364
2-(2-bromo-5-fluoro-4-methoxyphenyl)acetonitrile
CID 19261417
1-(4-bromo-5-fluoro-2-methoxyphenyl)cyclopropan-1-ol
CID 84806667

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2,4-difluoro-5-methoxybenzene;1,5-dibromo-2,4-difluorobenzene?
The IUPAC name of 1-bromo-2,4-difluoro-5-methoxybenzene;1,5-dibromo-2,4-difluorobenzene (CID 160948339) is 1-bromo-2,4-difluoro-5-methoxybenzene;1,5-dibromo-2,4-difluorobenzene.
What is the SMILES notation for 1-bromo-2,4-difluoro-5-methoxybenzene;1,5-dibromo-2,4-difluorobenzene?
The canonical SMILES for 1-bromo-2,4-difluoro-5-methoxybenzene;1,5-dibromo-2,4-difluorobenzene is COc1cc(Br)c(F)cc1F.Fc1cc(F)c(Br)cc1Br.
What is the InChIKey of 1-bromo-2,4-difluoro-5-methoxybenzene;1,5-dibromo-2,4-difluorobenzene?
The InChIKey is SVKLRVIRXRPQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF2O.C6H2Br2F2/c1-11-7-2-4(8)5(9)3-6(7)10;7-3-1-4(8)6(10)2-5(3)9/h2-3H,1H3;1-2H.
What are the key properties of 1-bromo-2,4-difluoro-5-methoxybenzene;1,5-dibromo-2,4-difluorobenzene?
1-bromo-2,4-difluoro-5-methoxybenzene;1,5-dibromo-2,4-difluorobenzene has a molecular weight of 494.90 g/mol, XLogP of 6.23, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2,4-difluoro-5-methoxybenzene;1,5-dibromo-2,4-difluorobenzene is sourced from PubChem (CID 160948339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).