1,2-dibromo-5-(chloromethyl)-3,4-difluorobenzene

C7H3Br2ClF2 — CID 130877169

IUPAC1,2-dibromo-5-(chloromethyl)-3,4-difluorobenzene
SMILESFc1c(CCl)cc(Br)c(Br)c1F
InChIInChI=1S/C7H3Br2ClF2/c8-4-1-3(2-10)6(11)7(12)5(4)9/h1H,2H2
InChIKeyDSGSUYNAYBBYKP-UHFFFAOYSA-N
MW320.36 g/mol
LogP4.23
Rot. Bonds1

About 1,2-dibromo-5-(chloromethyl)-3,4-difluorobenzene

1,2-dibromo-5-(chloromethyl)-3,4-difluorobenzene (PubChem CID 130877169) has the molecular formula C7H3Br2ClF2 and a molecular weight of 320.36 g/mol. Its IUPAC name is 1,2-dibromo-5-(chloromethyl)-3,4-difluorobenzene.

Molecular Properties

Compound Name1,2-dibromo-5-(chloromethyl)-3,4-difluorobenzene
PubChem CID130877169
Molecular FormulaC7H3Br2ClF2
Molecular Weight320.36 g/mol
Exact Mass317.83
IUPAC Name1,2-dibromo-5-(chloromethyl)-3,4-difluorobenzene
SMILESFc1c(CCl)cc(Br)c(Br)c1F
InChIInChI=1S/C7H3Br2ClF2/c8-4-1-3(2-10)6(11)7(12)5(4)9/h1H,2H2
InChIKeyDSGSUYNAYBBYKP-UHFFFAOYSA-N
XLogP4.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'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-(chloromethyl)-4,5-difluorobenzene
CID 130766572
1-bromo-5-(chloromethyl)-4-fluoro-2-methylbenzene
CID 130090932
6-bromo-3-(chloromethyl)-2-fluorophenol
CID 131216679
1,3-dibromo-2-chloro-4-(chloromethyl)benzene
CID 171009765
5-bromo-1-(chloromethyl)-2-fluoro-3-(trifluoromethyl)benzene
CID 131533779
3-bromo-2-chloro-1-(chloromethyl)-4-fluorobenzene
CID 131587310
1-bromo-2-(chloromethyl)-5-fluoro-4-iodobenzene
CID 131331859
(5-bromo-3-chloro-2,4-difluorophenyl)methanol
CID 102171552
1-(chloromethyl)-2-fluoro-3,5-dimethylbenzene
CID 130925257
1-bromo-2-(chloromethyl)-3-fluoro-4-(trifluoromethyl)benzene
CID 130758378
2-chloro-1-(chloromethyl)-3-fluoro-5-iodobenzene
CID 171003596
4-bromo-1-(chloromethyl)-2-fluorobenzene;methane
CID 174575273

Frequently Asked Questions

What is the IUPAC name of 1,2-dibromo-5-(chloromethyl)-3,4-difluorobenzene?
The IUPAC name of 1,2-dibromo-5-(chloromethyl)-3,4-difluorobenzene (CID 130877169) is 1,2-dibromo-5-(chloromethyl)-3,4-difluorobenzene.
What is the SMILES notation for 1,2-dibromo-5-(chloromethyl)-3,4-difluorobenzene?
The canonical SMILES for 1,2-dibromo-5-(chloromethyl)-3,4-difluorobenzene is Fc1c(CCl)cc(Br)c(Br)c1F.
What is the InChIKey of 1,2-dibromo-5-(chloromethyl)-3,4-difluorobenzene?
The InChIKey is DSGSUYNAYBBYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Br2ClF2/c8-4-1-3(2-10)6(11)7(12)5(4)9/h1H,2H2.
What are the key properties of 1,2-dibromo-5-(chloromethyl)-3,4-difluorobenzene?
1,2-dibromo-5-(chloromethyl)-3,4-difluorobenzene has a molecular weight of 320.36 g/mol, XLogP of 4.23, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dibromo-5-(chloromethyl)-3,4-difluorobenzene is sourced from PubChem (CID 130877169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).