1-bromo-4-chloro-2,3-difluorobenzene

C6H2BrClF2 — CID 44891216

IUPAC1-bromo-4-chloro-2,3-difluorobenzene
SMILESFc1c(Cl)ccc(Br)c1F
InChIInChI=1S/C6H2BrClF2/c7-3-1-2-4(8)6(10)5(3)9/h1-2H
InChIKeyNLNGUQIWICXNKO-UHFFFAOYSA-N
MW227.43 g/mol
LogP3.38
Rot. Bonds

About 1-bromo-4-chloro-2,3-difluorobenzene

1-bromo-4-chloro-2,3-difluorobenzene (PubChem CID 44891216) has the molecular formula C6H2BrClF2 and a molecular weight of 227.43 g/mol. Its IUPAC name is 1-bromo-4-chloro-2,3-difluorobenzene.

Molecular Properties

Compound Name1-bromo-4-chloro-2,3-difluorobenzene
PubChem CID44891216
Molecular FormulaC6H2BrClF2
Molecular Weight227.43 g/mol
Exact Mass225.90
IUPAC Name1-bromo-4-chloro-2,3-difluorobenzene
SMILESFc1c(Cl)ccc(Br)c1F
InChIInChI=1S/C6H2BrClF2/c7-3-1-2-4(8)6(10)5(3)9/h1-2H
InChIKeyNLNGUQIWICXNKO-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'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

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CID 13340108
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6-bromo-3-chloro-2-fluorobenzoyl chloride
CID 83409619
3-bromo-6-chloro-2-fluoro-N,N-dimethylaniline
CID 66953951
1-bromo-4-chloro-2-fluoro-3-isocyanobenzene
CID 171405461
6-bromo-3-chloro-2-fluorobenzenecarbothioamide
CID 83409721
1-bromo-4-chloro-2-(2-chloroethyl)-3-fluorobenzene
CID 130140819
2-(3-bromo-6-chloro-2-fluorophenyl)ethanol
CID 69129583
1-(3-bromo-6-chloro-2-fluorophenyl)ethanone
CID 83409943
O-[(3-bromo-6-chloro-2-fluorophenyl)methyl]hydroxylamine
CID 117389548
N-[(3-bromo-6-chloro-2-fluorophenyl)methyl]hydroxylamine
CID 84804790
1-bromo-4-chloro-2-fluoro-3-(3-fluoropropyl)benzene
CID 69129955

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-chloro-2,3-difluorobenzene?
The IUPAC name of 1-bromo-4-chloro-2,3-difluorobenzene (CID 44891216) is 1-bromo-4-chloro-2,3-difluorobenzene.
What is the SMILES notation for 1-bromo-4-chloro-2,3-difluorobenzene?
The canonical SMILES for 1-bromo-4-chloro-2,3-difluorobenzene is Fc1c(Cl)ccc(Br)c1F.
What is the InChIKey of 1-bromo-4-chloro-2,3-difluorobenzene?
The InChIKey is NLNGUQIWICXNKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BrClF2/c7-3-1-2-4(8)6(10)5(3)9/h1-2H.
What are the key properties of 1-bromo-4-chloro-2,3-difluorobenzene?
1-bromo-4-chloro-2,3-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-4-chloro-2,3-difluorobenzene is sourced from PubChem (CID 44891216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).