1-bromo-2-[(4-chlorophenyl)methyl]-3-fluorobenzene

C13H9BrClF — CID 67230014

IUPAC1-bromo-2-[(4-chlorophenyl)methyl]-3-fluorobenzene
SMILESFc1cccc(Br)c1Cc1ccc(Cl)cc1
InChIInChI=1S/C13H9BrClF/c14-12-2-1-3-13(16)11(12)8-9-4-6-10(15)7-5-9/h1-7H,8H2
InChIKeyAFVZSNKMMRNBHA-UHFFFAOYSA-N
MW299.57 g/mol
LogP4.83
Rot. Bonds2

About 1-bromo-2-[(4-chlorophenyl)methyl]-3-fluorobenzene

1-bromo-2-[(4-chlorophenyl)methyl]-3-fluorobenzene (PubChem CID 67230014) has the molecular formula C13H9BrClF and a molecular weight of 299.57 g/mol. Its IUPAC name is 1-bromo-2-[(4-chlorophenyl)methyl]-3-fluorobenzene.

Molecular Properties

Compound Name1-bromo-2-[(4-chlorophenyl)methyl]-3-fluorobenzene
PubChem CID67230014
Molecular FormulaC13H9BrClF
Molecular Weight299.57 g/mol
Exact Mass297.96
IUPAC Name1-bromo-2-[(4-chlorophenyl)methyl]-3-fluorobenzene
SMILESFc1cccc(Br)c1Cc1ccc(Cl)cc1
InChIInChI=1S/C13H9BrClF/c14-12-2-1-3-13(16)11(12)8-9-4-6-10(15)7-5-9/h1-7H,8H2
InChIKeyAFVZSNKMMRNBHA-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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Related Compounds

2-(2-bromo-6-fluorophenyl)ethanamine
CID 83384131
1-(4-chlorophenyl)-3-(2,6-difluorophenyl)propan-2-amine
CID 114931762
2-[(2,6-difluorophenyl)methyl]-1,3-difluorobenzene
CID 15013079
1-(3-bromo-2-fluorophenyl)-2-(4-chlorophenyl)-N-methylethanamine
CID 106645338
3-bromo-2-[(4-chlorophenyl)methylsulfonylmethyl]aniline
CID 114790690
2-bromo-1-[(2-chloro-6-fluorophenyl)methoxy]-4-(chloromethyl)benzene
CID 63534231
1-[(2-bromo-6-fluorophenyl)methyl]pyrrolidine
CID 70699630
2-[(4-chlorophenyl)methyl]-3-methylaniline
CID 70469771
3-[(2-bromo-6-fluorophenyl)methyl]-2-methyl-1H-indole
CID 172635497
2-bromo-N-[(2,6-dichlorophenyl)methyl]-6-fluoroaniline
CID 107598297
3,5-dibromo-4-[(2,6-difluorophenyl)methoxy]benzaldehyde
CID 107738201
1-(4-chloro-2-fluorophenyl)-2-(2,6-dibromophenyl)ethanol
CID 166094959

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[(4-chlorophenyl)methyl]-3-fluorobenzene?
The IUPAC name of 1-bromo-2-[(4-chlorophenyl)methyl]-3-fluorobenzene (CID 67230014) is 1-bromo-2-[(4-chlorophenyl)methyl]-3-fluorobenzene.
What is the SMILES notation for 1-bromo-2-[(4-chlorophenyl)methyl]-3-fluorobenzene?
The canonical SMILES for 1-bromo-2-[(4-chlorophenyl)methyl]-3-fluorobenzene is Fc1cccc(Br)c1Cc1ccc(Cl)cc1.
What is the InChIKey of 1-bromo-2-[(4-chlorophenyl)methyl]-3-fluorobenzene?
The InChIKey is AFVZSNKMMRNBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClF/c14-12-2-1-3-13(16)11(12)8-9-4-6-10(15)7-5-9/h1-7H,8H2.
What are the key properties of 1-bromo-2-[(4-chlorophenyl)methyl]-3-fluorobenzene?
1-bromo-2-[(4-chlorophenyl)methyl]-3-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 1-bromo-2-[(4-chlorophenyl)methyl]-3-fluorobenzene is sourced from PubChem (CID 67230014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).