2-bromo-1,3-dichloro-4-fluorobenzene

C6H2BrCl2F — CID 19779824

IUPAC2-bromo-1,3-dichloro-4-fluorobenzene
SMILESFc1ccc(Cl)c(Br)c1Cl
InChIInChI=1S/C6H2BrCl2F/c7-5-3(8)1-2-4(10)6(5)9/h1-2H
InChIKeyPSFKDXYTCKEBSN-UHFFFAOYSA-N
MW243.89 g/mol
LogP3.89
Rot. Bonds

About 2-bromo-1,3-dichloro-4-fluorobenzene

2-bromo-1,3-dichloro-4-fluorobenzene (PubChem CID 19779824) has the molecular formula C6H2BrCl2F and a molecular weight of 243.89 g/mol. Its IUPAC name is 2-bromo-1,3-dichloro-4-fluorobenzene.

Molecular Properties

Compound Name2-bromo-1,3-dichloro-4-fluorobenzene
PubChem CID19779824
Molecular FormulaC6H2BrCl2F
Molecular Weight243.89 g/mol
Exact Mass241.87
IUPAC Name2-bromo-1,3-dichloro-4-fluorobenzene
SMILESFc1ccc(Cl)c(Br)c1Cl
InChIInChI=1S/C6H2BrCl2F/c7-5-3(8)1-2-4(10)6(5)9/h1-2H
InChIKeyPSFKDXYTCKEBSN-UHFFFAOYSA-N
XLogP3.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.89
LogP ≤ 53.89
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-bromo-3-chloro-6-fluoroaniline
CID 106701544
2-bromo-1-chloro-3-ethenyl-4-fluorobenzene
CID 122237486
1,3-dichloro-4-fluoro-2-methylbenzene
CID 11830014
2-(2-bromo-3-chloro-6-fluorophenyl)ethanol
CID 117386874
3-bromo-1-chloro-2-(difluoromethyl)-4-fluorobenzene
CID 119013054
2-(1-bromoethyl)-1,3-dichloro-4-fluorobenzene
CID 54578784
1,3-dichloro-4-fluoro-2-(fluoromethyl)benzene
CID 118830415
2-bromo-1-(2-bromo-3-chloro-6-fluorophenyl)ethanone
CID 122235406
2-(2-bromo-3-chloro-4-fluorophenyl)-2-hydroxyacetic acid
CID 171000572
(NE)-N-[(2,6-dichloro-3-fluorophenyl)methylidene]hydroxylamine
CID 11031032
2-bromo-1-chloro-4-fluoro-3-(2-methylsulfanylethyl)benzene
CID 130140602
methyl 2-bromo-3-chloro-4-fluorobenzoate
CID 131090831

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1,3-dichloro-4-fluorobenzene?
The IUPAC name of 2-bromo-1,3-dichloro-4-fluorobenzene (CID 19779824) is 2-bromo-1,3-dichloro-4-fluorobenzene.
What is the SMILES notation for 2-bromo-1,3-dichloro-4-fluorobenzene?
The canonical SMILES for 2-bromo-1,3-dichloro-4-fluorobenzene is Fc1ccc(Cl)c(Br)c1Cl.
What is the InChIKey of 2-bromo-1,3-dichloro-4-fluorobenzene?
The InChIKey is PSFKDXYTCKEBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BrCl2F/c7-5-3(8)1-2-4(10)6(5)9/h1-2H.
What are the key properties of 2-bromo-1,3-dichloro-4-fluorobenzene?
2-bromo-1,3-dichloro-4-fluorobenzene has a molecular weight of 243.89 g/mol, XLogP of 3.89, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1,3-dichloro-4-fluorobenzene is sourced from PubChem (CID 19779824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).