4-bromo-1-chloro-2-[(4-fluorophenyl)methyl]benzene

C13H9BrClF — CID 86291959

IUPAC4-bromo-1-chloro-2-[(4-fluorophenyl)methyl]benzene
SMILESFc1ccc(Cc2cc(Br)ccc2Cl)cc1
InChIInChI=1S/C13H9BrClF/c14-11-3-6-13(15)10(8-11)7-9-1-4-12(16)5-2-9/h1-6,8H,7H2
InChIKeyPRJCCPJWDDDOER-UHFFFAOYSA-N
MW299.57 g/mol
LogP4.83
Rot. Bonds2

About 4-bromo-1-chloro-2-[(4-fluorophenyl)methyl]benzene

4-bromo-1-chloro-2-[(4-fluorophenyl)methyl]benzene (PubChem CID 86291959) has the molecular formula C13H9BrClF and a molecular weight of 299.57 g/mol. Its IUPAC name is 4-bromo-1-chloro-2-[(4-fluorophenyl)methyl]benzene.

Molecular Properties

Compound Name4-bromo-1-chloro-2-[(4-fluorophenyl)methyl]benzene
PubChem CID86291959
Molecular FormulaC13H9BrClF
Molecular Weight299.57 g/mol
Exact Mass297.96
IUPAC Name4-bromo-1-chloro-2-[(4-fluorophenyl)methyl]benzene
SMILESFc1ccc(Cc2cc(Br)ccc2Cl)cc1
InChIInChI=1S/C13H9BrClF/c14-11-3-6-13(15)10(8-11)7-9-1-4-12(16)5-2-9/h1-6,8H,7H2
InChIKeyPRJCCPJWDDDOER-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-bromo-1-chloro-2-[(4-fluorophenyl)methyl]benzene?
The IUPAC name of 4-bromo-1-chloro-2-[(4-fluorophenyl)methyl]benzene (CID 86291959) is 4-bromo-1-chloro-2-[(4-fluorophenyl)methyl]benzene.
What is the SMILES notation for 4-bromo-1-chloro-2-[(4-fluorophenyl)methyl]benzene?
The canonical SMILES for 4-bromo-1-chloro-2-[(4-fluorophenyl)methyl]benzene is Fc1ccc(Cc2cc(Br)ccc2Cl)cc1.
What is the InChIKey of 4-bromo-1-chloro-2-[(4-fluorophenyl)methyl]benzene?
The InChIKey is PRJCCPJWDDDOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClF/c14-11-3-6-13(15)10(8-11)7-9-1-4-12(16)5-2-9/h1-6,8H,7H2.
What are the key properties of 4-bromo-1-chloro-2-[(4-fluorophenyl)methyl]benzene?
4-bromo-1-chloro-2-[(4-fluorophenyl)methyl]benzene 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-bromo-1-chloro-2-[(4-fluorophenyl)methyl]benzene is sourced from PubChem (CID 86291959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).