1-bromo-4-chloro-2-(2-chloroethyl)-3-fluorobenzene

C8H6BrCl2F — CID 130140819

IUPAC1-bromo-4-chloro-2-(2-chloroethyl)-3-fluorobenzene
SMILESFc1c(Cl)ccc(Br)c1CCCl
InChIInChI=1S/C8H6BrCl2F/c9-6-1-2-7(11)8(12)5(6)3-4-10/h1-2H,3-4H2
InChIKeyDEWGWIODBMDABO-UHFFFAOYSA-N
MW271.94 g/mol
LogP4.02
Rot. Bonds2

About 1-bromo-4-chloro-2-(2-chloroethyl)-3-fluorobenzene

1-bromo-4-chloro-2-(2-chloroethyl)-3-fluorobenzene (PubChem CID 130140819) has the molecular formula C8H6BrCl2F and a molecular weight of 271.94 g/mol. Its IUPAC name is 1-bromo-4-chloro-2-(2-chloroethyl)-3-fluorobenzene.

Molecular Properties

Compound Name1-bromo-4-chloro-2-(2-chloroethyl)-3-fluorobenzene
PubChem CID130140819
Molecular FormulaC8H6BrCl2F
Molecular Weight271.94 g/mol
Exact Mass269.90
IUPAC Name1-bromo-4-chloro-2-(2-chloroethyl)-3-fluorobenzene
SMILESFc1c(Cl)ccc(Br)c1CCCl
InChIInChI=1S/C8H6BrCl2F/c9-6-1-2-7(11)8(12)5(6)3-4-10/h1-2H,3-4H2
InChIKeyDEWGWIODBMDABO-UHFFFAOYSA-N
XLogP4.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.94
LogP ≤ 54.02
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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Related Compounds

N-[(6-bromo-3-chloro-2-fluorophenyl)methyl]hydroxylamine
CID 117389559
1-bromo-4-chloro-2,3-difluorobenzene
CID 44891216
3-(3-bromo-6-chloro-2-fluorophenyl)propanal
CID 117418213
2-(3-bromo-6-chloro-2-fluorophenyl)ethanol
CID 69129583
4-[(6-bromo-3-chloro-2-fluorophenyl)methyl]piperidine
CID 117491842
1-bromo-4-chloro-2-fluoro-3-methylbenzene
CID 13340108
1-bromo-4-chloro-2-fluoro-3-(3-fluoropropyl)benzene
CID 69129955
2-(3,6-dichloro-2-fluorophenyl)-N-methylethanamine
CID 84687329
1-(3-bromo-6-chloro-2-fluorophenyl)propan-2-one
CID 84807672
O-[(3-bromo-6-chloro-2-fluorophenyl)methyl]hydroxylamine
CID 117389548
3-(3-chloro-2,6-difluorophenyl)propanal
CID 53434308
1-chloro-2-fluoro-3-(fluoromethyl)-4-methylbenzene
CID 118811534

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-chloro-2-(2-chloroethyl)-3-fluorobenzene?
The IUPAC name of 1-bromo-4-chloro-2-(2-chloroethyl)-3-fluorobenzene (CID 130140819) is 1-bromo-4-chloro-2-(2-chloroethyl)-3-fluorobenzene.
What is the SMILES notation for 1-bromo-4-chloro-2-(2-chloroethyl)-3-fluorobenzene?
The canonical SMILES for 1-bromo-4-chloro-2-(2-chloroethyl)-3-fluorobenzene is Fc1c(Cl)ccc(Br)c1CCCl.
What is the InChIKey of 1-bromo-4-chloro-2-(2-chloroethyl)-3-fluorobenzene?
The InChIKey is DEWGWIODBMDABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrCl2F/c9-6-1-2-7(11)8(12)5(6)3-4-10/h1-2H,3-4H2.
What are the key properties of 1-bromo-4-chloro-2-(2-chloroethyl)-3-fluorobenzene?
1-bromo-4-chloro-2-(2-chloroethyl)-3-fluorobenzene has a molecular weight of 271.94 g/mol, XLogP of 4.02, 2 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-(2-chloroethyl)-3-fluorobenzene is sourced from PubChem (CID 130140819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).