5-(2-bromophenyl)-2-fluoro-1,3-dimethylbenzene

C14H12BrF — CID 54136106

IUPAC5-(2-bromophenyl)-2-fluoro-1,3-dimethylbenzene
SMILESCc1cc(-c2ccccc2Br)cc(C)c1F
InChIInChI=1S/C14H12BrF/c1-9-7-11(8-10(2)14(9)16)12-5-3-4-6-13(12)15/h3-8H,1-2H3
InChIKeyJPOZXFHWJCUKMU-UHFFFAOYSA-N
MW279.15 g/mol
LogP4.87
Rot. Bonds1

About 5-(2-bromophenyl)-2-fluoro-1,3-dimethylbenzene

5-(2-bromophenyl)-2-fluoro-1,3-dimethylbenzene (PubChem CID 54136106) has the molecular formula C14H12BrF and a molecular weight of 279.15 g/mol. Its IUPAC name is 5-(2-bromophenyl)-2-fluoro-1,3-dimethylbenzene.

Molecular Properties

Compound Name5-(2-bromophenyl)-2-fluoro-1,3-dimethylbenzene
PubChem CID54136106
Molecular FormulaC14H12BrF
Molecular Weight279.15 g/mol
Exact Mass278.01
IUPAC Name5-(2-bromophenyl)-2-fluoro-1,3-dimethylbenzene
SMILESCc1cc(-c2ccccc2Br)cc(C)c1F
InChIInChI=1S/C14H12BrF/c1-9-7-11(8-10(2)14(9)16)12-5-3-4-6-13(12)15/h3-8H,1-2H3
InChIKeyJPOZXFHWJCUKMU-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 5-(2-bromophenyl)-2-fluoro-1,3-dimethylbenzene?
The IUPAC name of 5-(2-bromophenyl)-2-fluoro-1,3-dimethylbenzene (CID 54136106) is 5-(2-bromophenyl)-2-fluoro-1,3-dimethylbenzene.
What is the SMILES notation for 5-(2-bromophenyl)-2-fluoro-1,3-dimethylbenzene?
The canonical SMILES for 5-(2-bromophenyl)-2-fluoro-1,3-dimethylbenzene is Cc1cc(-c2ccccc2Br)cc(C)c1F.
What is the InChIKey of 5-(2-bromophenyl)-2-fluoro-1,3-dimethylbenzene?
The InChIKey is JPOZXFHWJCUKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF/c1-9-7-11(8-10(2)14(9)16)12-5-3-4-6-13(12)15/h3-8H,1-2H3.
What are the key properties of 5-(2-bromophenyl)-2-fluoro-1,3-dimethylbenzene?
5-(2-bromophenyl)-2-fluoro-1,3-dimethylbenzene 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 5-(2-bromophenyl)-2-fluoro-1,3-dimethylbenzene is sourced from PubChem (CID 54136106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).