4-[(3-bromophenyl)methyl]-2-chloro-1-fluorobenzene

C13H9BrClF — CID 71161527

IUPAC4-[(3-bromophenyl)methyl]-2-chloro-1-fluorobenzene
SMILESFc1ccc(Cc2cccc(Br)c2)cc1Cl
InChIInChI=1S/C13H9BrClF/c14-11-3-1-2-9(7-11)6-10-4-5-13(16)12(15)8-10/h1-5,7-8H,6H2
InChIKeyJZIFPINKVOLFLO-UHFFFAOYSA-N
MW299.57 g/mol
LogP4.83
Rot. Bonds2

About 4-[(3-bromophenyl)methyl]-2-chloro-1-fluorobenzene

4-[(3-bromophenyl)methyl]-2-chloro-1-fluorobenzene (PubChem CID 71161527) has the molecular formula C13H9BrClF and a molecular weight of 299.57 g/mol. Its IUPAC name is 4-[(3-bromophenyl)methyl]-2-chloro-1-fluorobenzene.

Molecular Properties

Compound Name4-[(3-bromophenyl)methyl]-2-chloro-1-fluorobenzene
PubChem CID71161527
Molecular FormulaC13H9BrClF
Molecular Weight299.57 g/mol
Exact Mass297.96
IUPAC Name4-[(3-bromophenyl)methyl]-2-chloro-1-fluorobenzene
SMILESFc1ccc(Cc2cccc(Br)c2)cc1Cl
InChIInChI=1S/C13H9BrClF/c14-11-3-1-2-9(7-11)6-10-4-5-13(16)12(15)8-10/h1-5,7-8H,6H2
InChIKeyJZIFPINKVOLFLO-UHFFFAOYSA-N
XLogP4.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.57
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromophenyl)methyl]-2-chloro-1-fluorobenzene?
The IUPAC name of 4-[(3-bromophenyl)methyl]-2-chloro-1-fluorobenzene (CID 71161527) is 4-[(3-bromophenyl)methyl]-2-chloro-1-fluorobenzene.
What is the SMILES notation for 4-[(3-bromophenyl)methyl]-2-chloro-1-fluorobenzene?
The canonical SMILES for 4-[(3-bromophenyl)methyl]-2-chloro-1-fluorobenzene is Fc1ccc(Cc2cccc(Br)c2)cc1Cl.
What is the InChIKey of 4-[(3-bromophenyl)methyl]-2-chloro-1-fluorobenzene?
The InChIKey is JZIFPINKVOLFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClF/c14-11-3-1-2-9(7-11)6-10-4-5-13(16)12(15)8-10/h1-5,7-8H,6H2.
What are the key properties of 4-[(3-bromophenyl)methyl]-2-chloro-1-fluorobenzene?
4-[(3-bromophenyl)methyl]-2-chloro-1-fluorobenzene has a molecular weight of 299.57 g/mol, XLogP of 4.83, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-bromophenyl)methyl]-2-chloro-1-fluorobenzene is sourced from PubChem (CID 71161527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).