1-bromo-4-(chloromethyl)-2,5-difluorobenzene

C7H4BrClF2 — CID 19807249

IUPAC1-bromo-4-(chloromethyl)-2,5-difluorobenzene
SMILESFc1cc(CCl)c(F)cc1Br
InChIInChI=1S/C7H4BrClF2/c8-5-2-6(10)4(3-9)1-7(5)11/h1-2H,3H2
InChIKeyCFKOAKUGTZXSTR-UHFFFAOYSA-N
MW241.46 g/mol
LogP3.47
Rot. Bonds1

About 1-bromo-4-(chloromethyl)-2,5-difluorobenzene

1-bromo-4-(chloromethyl)-2,5-difluorobenzene (PubChem CID 19807249) has the molecular formula C7H4BrClF2 and a molecular weight of 241.46 g/mol. Its IUPAC name is 1-bromo-4-(chloromethyl)-2,5-difluorobenzene.

Molecular Properties

Compound Name1-bromo-4-(chloromethyl)-2,5-difluorobenzene
PubChem CID19807249
Molecular FormulaC7H4BrClF2
Molecular Weight241.46 g/mol
Exact Mass239.92
IUPAC Name1-bromo-4-(chloromethyl)-2,5-difluorobenzene
SMILESFc1cc(CCl)c(F)cc1Br
InChIInChI=1S/C7H4BrClF2/c8-5-2-6(10)4(3-9)1-7(5)11/h1-2H,3H2
InChIKeyCFKOAKUGTZXSTR-UHFFFAOYSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.46
LogP ≤ 53.47
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(chloromethyl)-2,5-difluorobenzene?
The IUPAC name of 1-bromo-4-(chloromethyl)-2,5-difluorobenzene (CID 19807249) is 1-bromo-4-(chloromethyl)-2,5-difluorobenzene.
What is the SMILES notation for 1-bromo-4-(chloromethyl)-2,5-difluorobenzene?
The canonical SMILES for 1-bromo-4-(chloromethyl)-2,5-difluorobenzene is Fc1cc(CCl)c(F)cc1Br.
What is the InChIKey of 1-bromo-4-(chloromethyl)-2,5-difluorobenzene?
The InChIKey is CFKOAKUGTZXSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrClF2/c8-5-2-6(10)4(3-9)1-7(5)11/h1-2H,3H2.
What are the key properties of 1-bromo-4-(chloromethyl)-2,5-difluorobenzene?
1-bromo-4-(chloromethyl)-2,5-difluorobenzene has a molecular weight of 241.46 g/mol, XLogP of 3.47, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(chloromethyl)-2,5-difluorobenzene is sourced from PubChem (CID 19807249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).