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

C8H7BrClF — CID 81440797

IUPAC1-bromo-4-(2-chloroethyl)-2-fluorobenzene
SMILESFc1cc(CCCl)ccc1Br
InChIInChI=1S/C8H7BrClF/c9-7-2-1-6(3-4-10)5-8(7)11/h1-2,5H,3-4H2
InChIKeyLVXYFXJLTFWKOM-UHFFFAOYSA-N
MW237.50 g/mol
LogP3.37
Rot. Bonds2

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

1-bromo-4-(2-chloroethyl)-2-fluorobenzene (PubChem CID 81440797) has the molecular formula C8H7BrClF and a molecular weight of 237.50 g/mol. Its IUPAC name is 1-bromo-4-(2-chloroethyl)-2-fluorobenzene.

Molecular Properties

Compound Name1-bromo-4-(2-chloroethyl)-2-fluorobenzene
PubChem CID81440797
Molecular FormulaC8H7BrClF
Molecular Weight237.50 g/mol
Exact Mass235.94
IUPAC Name1-bromo-4-(2-chloroethyl)-2-fluorobenzene
SMILESFc1cc(CCCl)ccc1Br
InChIInChI=1S/C8H7BrClF/c9-7-2-1-6(3-4-10)5-8(7)11/h1-2,5H,3-4H2
InChIKeyLVXYFXJLTFWKOM-UHFFFAOYSA-N
XLogP3.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.50
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(2-chloroethyl)-2-fluorobenzene?
The IUPAC name of 1-bromo-4-(2-chloroethyl)-2-fluorobenzene (CID 81440797) is 1-bromo-4-(2-chloroethyl)-2-fluorobenzene.
What is the SMILES notation for 1-bromo-4-(2-chloroethyl)-2-fluorobenzene?
The canonical SMILES for 1-bromo-4-(2-chloroethyl)-2-fluorobenzene is Fc1cc(CCCl)ccc1Br.
What is the InChIKey of 1-bromo-4-(2-chloroethyl)-2-fluorobenzene?
The InChIKey is LVXYFXJLTFWKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrClF/c9-7-2-1-6(3-4-10)5-8(7)11/h1-2,5H,3-4H2.
What are the key properties of 1-bromo-4-(2-chloroethyl)-2-fluorobenzene?
1-bromo-4-(2-chloroethyl)-2-fluorobenzene has a molecular weight of 237.50 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(2-chloroethyl)-2-fluorobenzene is sourced from PubChem (CID 81440797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).