1-bromo-3-(2-chlorophenyl)-2-fluorobenzene

C12H7BrClF — CID 126655641

IUPAC1-bromo-3-(2-chlorophenyl)-2-fluorobenzene
SMILESFc1c(Br)cccc1-c1ccccc1Cl
InChIInChI=1S/C12H7BrClF/c13-10-6-3-5-9(12(10)15)8-4-1-2-7-11(8)14/h1-7H
InChIKeyIYAGLTNNMRFGNQ-UHFFFAOYSA-N
MW285.54 g/mol
LogP4.91
Rot. Bonds1

About 1-bromo-3-(2-chlorophenyl)-2-fluorobenzene

1-bromo-3-(2-chlorophenyl)-2-fluorobenzene (PubChem CID 126655641) has the molecular formula C12H7BrClF and a molecular weight of 285.54 g/mol. Its IUPAC name is 1-bromo-3-(2-chlorophenyl)-2-fluorobenzene.

Molecular Properties

Compound Name1-bromo-3-(2-chlorophenyl)-2-fluorobenzene
PubChem CID126655641
Molecular FormulaC12H7BrClF
Molecular Weight285.54 g/mol
Exact Mass283.94
IUPAC Name1-bromo-3-(2-chlorophenyl)-2-fluorobenzene
SMILESFc1c(Br)cccc1-c1ccccc1Cl
InChIInChI=1S/C12H7BrClF/c13-10-6-3-5-9(12(10)15)8-4-1-2-7-11(8)14/h1-7H
InChIKeyIYAGLTNNMRFGNQ-UHFFFAOYSA-N
XLogP4.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.54
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(2-chlorophenyl)-2-fluorobenzene?
The IUPAC name of 1-bromo-3-(2-chlorophenyl)-2-fluorobenzene (CID 126655641) is 1-bromo-3-(2-chlorophenyl)-2-fluorobenzene.
What is the SMILES notation for 1-bromo-3-(2-chlorophenyl)-2-fluorobenzene?
The canonical SMILES for 1-bromo-3-(2-chlorophenyl)-2-fluorobenzene is Fc1c(Br)cccc1-c1ccccc1Cl.
What is the InChIKey of 1-bromo-3-(2-chlorophenyl)-2-fluorobenzene?
The InChIKey is IYAGLTNNMRFGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrClF/c13-10-6-3-5-9(12(10)15)8-4-1-2-7-11(8)14/h1-7H.
What are the key properties of 1-bromo-3-(2-chlorophenyl)-2-fluorobenzene?
1-bromo-3-(2-chlorophenyl)-2-fluorobenzene has a molecular weight of 285.54 g/mol, XLogP of 4.91, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(2-chlorophenyl)-2-fluorobenzene is sourced from PubChem (CID 126655641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).