1-bromo-2-chloro-4,5-difluorobenzene

C6H2BrClF2 — CID 2773255

IUPAC1-bromo-2-chloro-4,5-difluorobenzene
SMILESFc1cc(Cl)c(Br)cc1F
InChIInChI=1S/C6H2BrClF2/c7-3-1-5(9)6(10)2-4(3)8/h1-2H
InChIKeyOKGLKEDYKFGKOW-UHFFFAOYSA-N
MW227.43 g/mol
LogP3.38
Rot. Bonds

About 1-bromo-2-chloro-4,5-difluorobenzene

1-bromo-2-chloro-4,5-difluorobenzene (PubChem CID 2773255) has the molecular formula C6H2BrClF2 and a molecular weight of 227.43 g/mol. Its IUPAC name is 1-bromo-2-chloro-4,5-difluorobenzene.

Molecular Properties

Compound Name1-bromo-2-chloro-4,5-difluorobenzene
PubChem CID2773255
Molecular FormulaC6H2BrClF2
Molecular Weight227.43 g/mol
Exact Mass225.90
IUPAC Name1-bromo-2-chloro-4,5-difluorobenzene
SMILESFc1cc(Cl)c(Br)cc1F
InChIInChI=1S/C6H2BrClF2/c7-3-1-5(9)6(10)2-4(3)8/h1-2H
InChIKeyOKGLKEDYKFGKOW-UHFFFAOYSA-N
XLogP3.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.43
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 56604734
4-bromo-5-chloro-2-fluorobenzenesulfonyl chloride
CID 50998068
1-bromo-3-chloro-2,4,5-trifluorobenzene
CID 14978107
1,4-dibromo-3-chloro-2,5-difluorobenzene
CID 118819170
1-(4-bromo-5-chloro-2-fluorophenyl)propan-2-one
CID 84807670
1-bromo-4-chloro-5-fluoro-2-iodobenzene
CID 50999479
3-(4-bromo-5-chloro-2-fluorophenyl)propanenitrile
CID 84807102
1-bromo-2-chloro-5-fluoro-4-propan-2-ylsulfonylbenzene
CID 118359588
1-bromo-2-chloro-5-fluoro-4-propoxybenzene
CID 163198209
1-bromo-4-[bromo-(3,4,5-trifluorophenyl)methyl]-2-chloro-5-fluorobenzene
CID 105399963
sodium;1-bromo-2-chloro-5-fluoro-4-nitrobenzene;methanolate
CID 67469276
1-bromo-2-chloro-4-[1-chloro-2-(3,4-difluorophenyl)ethyl]-5-fluorobenzene
CID 105399766

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-chloro-4,5-difluorobenzene?
The IUPAC name of 1-bromo-2-chloro-4,5-difluorobenzene (CID 2773255) is 1-bromo-2-chloro-4,5-difluorobenzene.
What is the SMILES notation for 1-bromo-2-chloro-4,5-difluorobenzene?
The canonical SMILES for 1-bromo-2-chloro-4,5-difluorobenzene is Fc1cc(Cl)c(Br)cc1F.
What is the InChIKey of 1-bromo-2-chloro-4,5-difluorobenzene?
The InChIKey is OKGLKEDYKFGKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BrClF2/c7-3-1-5(9)6(10)2-4(3)8/h1-2H.
What are the key properties of 1-bromo-2-chloro-4,5-difluorobenzene?
1-bromo-2-chloro-4,5-difluorobenzene has a molecular weight of 227.43 g/mol, XLogP of 3.38, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-chloro-4,5-difluorobenzene is sourced from PubChem (CID 2773255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).