2,4-dibromo-1-(fluoromethyl)benzene;1,3,4-tribromo-2-fluoro-5-methylbenzene

C14H9Br5F2 — CID 91311747

IUPAC2,4-dibromo-1-(fluoromethyl)benzene;1,3,4-tribromo-2-fluoro-5-methylbenzene
SMILESCc1cc(Br)c(F)c(Br)c1Br.FCc1ccc(Br)cc1Br
InChIInChI=1S/C7H4Br3F.C7H5Br2F/c1-3-2-4(8)7(11)6(10)5(3)9;8-6-2-1-5(4-10)7(9)3-6/h2H,1H3;1-3H,4H2
InChIKeyCPBVQIXKRRISFI-UHFFFAOYSA-N
MW614.74 g/mol
LogP8.10
Rot. Bonds1

About 2,4-dibromo-1-(fluoromethyl)benzene;1,3,4-tribromo-2-fluoro-5-methylbenzene

2,4-dibromo-1-(fluoromethyl)benzene;1,3,4-tribromo-2-fluoro-5-methylbenzene (PubChem CID 91311747) has the molecular formula C14H9Br5F2 and a molecular weight of 614.74 g/mol. Its IUPAC name is 2,4-dibromo-1-(fluoromethyl)benzene;1,3,4-tribromo-2-fluoro-5-methylbenzene.

Molecular Properties

Compound Name2,4-dibromo-1-(fluoromethyl)benzene;1,3,4-tribromo-2-fluoro-5-methylbenzene
PubChem CID91311747
Molecular FormulaC14H9Br5F2
Molecular Weight614.74 g/mol
Exact Mass609.66
IUPAC Name2,4-dibromo-1-(fluoromethyl)benzene;1,3,4-tribromo-2-fluoro-5-methylbenzene
SMILESCc1cc(Br)c(F)c(Br)c1Br.FCc1ccc(Br)cc1Br
InChIInChI=1S/C7H4Br3F.C7H5Br2F/c1-3-2-4(8)7(11)6(10)5(3)9;8-6-2-1-5(4-10)7(9)3-6/h2H,1H3;1-3H,4H2
InChIKeyCPBVQIXKRRISFI-UHFFFAOYSA-N
XLogP8.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.74
LogP ≤ 58.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2,3-dibromo-1-fluoro-4-methylbenzene;2,4-dibromo-1-(fluoromethyl)benzene
CID 91474323
1,3-dibromo-2-fluoro-4-(fluoromethyl)benzene
CID 118824651
1,3-dibromo-2-(fluoromethyl)benzene;bis(1,3-dibromo-2-fluoro-5-methylbenzene);1,3-dibromo-5-fluoro-2-methylbenzene;hexakis(1,4-dibromo-2-(fluoromethyl)benzene);1,4-dibromo-2-fluoro-5-methylbenzene;tris(2,3-dibromo-1-fluoro-4-methylbenzene);tetrakis(2,4-dibromo-1-(fluoromethyl)benzene);methane;1,2,3-tribromo-5-fluorobenzene;bis(1,2,4-tribromo-3-fluorobenzene);1,2,5-tribromo-3-fluorobenzene
CID 160512672
2-(4-bromo-2-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanol
CID 115788594
2,3-dibromo-1-fluoro-4-(fluoromethyl)benzene
CID 118830363
1-bromo-2-[(2-bromo-4,5-dimethylphenyl)methyl]-4,5-dimethylbenzene
CID 155667841
2,4-dibromo-1-[(2,4-dibromophenyl)methylperoxymethyl]benzene
CID 151763622
O-[[3-bromo-4-(fluoromethyl)phenyl]methyl]hydroxylamine
CID 117339731
2-bromo-4-fluoro-1-methylbenzene;1,2-dibromo-3-(fluoromethyl)benzene
CID 91301407
5-[bromo-(2,4-dibromophenyl)methyl]-2-fluoro-1,3-dimethylbenzene
CID 107958952
1,4-dibromo-2-(bromomethyl)benzene;1,4-dibromo-2-methylbenzene
CID 158762510
2-(2,4-dibromophenyl)ethanamine
CID 73012416

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-1-(fluoromethyl)benzene;1,3,4-tribromo-2-fluoro-5-methylbenzene?
The IUPAC name of 2,4-dibromo-1-(fluoromethyl)benzene;1,3,4-tribromo-2-fluoro-5-methylbenzene (CID 91311747) is 2,4-dibromo-1-(fluoromethyl)benzene;1,3,4-tribromo-2-fluoro-5-methylbenzene.
What is the SMILES notation for 2,4-dibromo-1-(fluoromethyl)benzene;1,3,4-tribromo-2-fluoro-5-methylbenzene?
The canonical SMILES for 2,4-dibromo-1-(fluoromethyl)benzene;1,3,4-tribromo-2-fluoro-5-methylbenzene is Cc1cc(Br)c(F)c(Br)c1Br.FCc1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-1-(fluoromethyl)benzene;1,3,4-tribromo-2-fluoro-5-methylbenzene?
The InChIKey is CPBVQIXKRRISFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Br3F.C7H5Br2F/c1-3-2-4(8)7(11)6(10)5(3)9;8-6-2-1-5(4-10)7(9)3-6/h2H,1H3;1-3H,4H2.
What are the key properties of 2,4-dibromo-1-(fluoromethyl)benzene;1,3,4-tribromo-2-fluoro-5-methylbenzene?
2,4-dibromo-1-(fluoromethyl)benzene;1,3,4-tribromo-2-fluoro-5-methylbenzene has a molecular weight of 614.74 g/mol, XLogP of 8.10, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-1-(fluoromethyl)benzene;1,3,4-tribromo-2-fluoro-5-methylbenzene is sourced from PubChem (CID 91311747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).