1-bromo-2-(2,4-dimethylphenyl)-3-fluorobenzene

C14H12BrF — CID 146407762

IUPAC1-bromo-2-(2,4-dimethylphenyl)-3-fluorobenzene
SMILESCc1ccc(-c2c(F)cccc2Br)c(C)c1
InChIInChI=1S/C14H12BrF/c1-9-6-7-11(10(2)8-9)14-12(15)4-3-5-13(14)16/h3-8H,1-2H3
InChIKeyUGZVVZCPFCXMEG-UHFFFAOYSA-N
MW279.15 g/mol
LogP4.87
Rot. Bonds1

About 1-bromo-2-(2,4-dimethylphenyl)-3-fluorobenzene

1-bromo-2-(2,4-dimethylphenyl)-3-fluorobenzene (PubChem CID 146407762) has the molecular formula C14H12BrF and a molecular weight of 279.15 g/mol. Its IUPAC name is 1-bromo-2-(2,4-dimethylphenyl)-3-fluorobenzene.

Molecular Properties

Compound Name1-bromo-2-(2,4-dimethylphenyl)-3-fluorobenzene
PubChem CID146407762
Molecular FormulaC14H12BrF
Molecular Weight279.15 g/mol
Exact Mass278.01
IUPAC Name1-bromo-2-(2,4-dimethylphenyl)-3-fluorobenzene
SMILESCc1ccc(-c2c(F)cccc2Br)c(C)c1
InChIInChI=1S/C14H12BrF/c1-9-6-7-11(10(2)8-9)14-12(15)4-3-5-13(14)16/h3-8H,1-2H3
InChIKeyUGZVVZCPFCXMEG-UHFFFAOYSA-N
XLogP4.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.15
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(2,4-dimethylphenyl)-3-fluorobenzene?
The IUPAC name of 1-bromo-2-(2,4-dimethylphenyl)-3-fluorobenzene (CID 146407762) is 1-bromo-2-(2,4-dimethylphenyl)-3-fluorobenzene.
What is the SMILES notation for 1-bromo-2-(2,4-dimethylphenyl)-3-fluorobenzene?
The canonical SMILES for 1-bromo-2-(2,4-dimethylphenyl)-3-fluorobenzene is Cc1ccc(-c2c(F)cccc2Br)c(C)c1.
What is the InChIKey of 1-bromo-2-(2,4-dimethylphenyl)-3-fluorobenzene?
The InChIKey is UGZVVZCPFCXMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF/c1-9-6-7-11(10(2)8-9)14-12(15)4-3-5-13(14)16/h3-8H,1-2H3.
What are the key properties of 1-bromo-2-(2,4-dimethylphenyl)-3-fluorobenzene?
1-bromo-2-(2,4-dimethylphenyl)-3-fluorobenzene has a molecular weight of 279.15 g/mol, XLogP of 4.87, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(2,4-dimethylphenyl)-3-fluorobenzene is sourced from PubChem (CID 146407762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).