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

C12H7BrClF — CID 68696359

IUPAC1-bromo-2-(3-chlorophenyl)-3-fluorobenzene
SMILESFc1cccc(Br)c1-c1cccc(Cl)c1
InChIInChI=1S/C12H7BrClF/c13-10-5-2-6-11(15)12(10)8-3-1-4-9(14)7-8/h1-7H
InChIKeyDPPIPELRGBKLPU-UHFFFAOYSA-N
MW285.54 g/mol
LogP4.91
Rot. Bonds1

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

1-bromo-2-(3-chlorophenyl)-3-fluorobenzene (PubChem CID 68696359) has the molecular formula C12H7BrClF and a molecular weight of 285.54 g/mol. Its IUPAC name is 1-bromo-2-(3-chlorophenyl)-3-fluorobenzene.

Molecular Properties

Compound Name1-bromo-2-(3-chlorophenyl)-3-fluorobenzene
PubChem CID68696359
Molecular FormulaC12H7BrClF
Molecular Weight285.54 g/mol
Exact Mass283.94
IUPAC Name1-bromo-2-(3-chlorophenyl)-3-fluorobenzene
SMILESFc1cccc(Br)c1-c1cccc(Cl)c1
InChIInChI=1S/C12H7BrClF/c13-10-5-2-6-11(15)12(10)8-3-1-4-9(14)7-8/h1-7H
InChIKeyDPPIPELRGBKLPU-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-2-(3-chlorophenyl)-3-fluorobenzene?
The IUPAC name of 1-bromo-2-(3-chlorophenyl)-3-fluorobenzene (CID 68696359) is 1-bromo-2-(3-chlorophenyl)-3-fluorobenzene.
What is the SMILES notation for 1-bromo-2-(3-chlorophenyl)-3-fluorobenzene?
The canonical SMILES for 1-bromo-2-(3-chlorophenyl)-3-fluorobenzene is Fc1cccc(Br)c1-c1cccc(Cl)c1.
What is the InChIKey of 1-bromo-2-(3-chlorophenyl)-3-fluorobenzene?
The InChIKey is DPPIPELRGBKLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrClF/c13-10-5-2-6-11(15)12(10)8-3-1-4-9(14)7-8/h1-7H.
What are the key properties of 1-bromo-2-(3-chlorophenyl)-3-fluorobenzene?
1-bromo-2-(3-chlorophenyl)-3-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-2-(3-chlorophenyl)-3-fluorobenzene is sourced from PubChem (CID 68696359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).