1-bromo-2-fluoro-5-methyl-4-(4-methylphenyl)benzene

C14H12BrF — CID 164894591

IUPAC1-bromo-2-fluoro-5-methyl-4-(4-methylphenyl)benzene
SMILESCc1ccc(-c2cc(F)c(Br)cc2C)cc1
InChIInChI=1S/C14H12BrF/c1-9-3-5-11(6-4-9)12-8-14(16)13(15)7-10(12)2/h3-8H,1-2H3
InChIKeyHRFFRLLAMGECKO-UHFFFAOYSA-N
MW279.15 g/mol
LogP4.87
Rot. Bonds1

About 1-bromo-2-fluoro-5-methyl-4-(4-methylphenyl)benzene

1-bromo-2-fluoro-5-methyl-4-(4-methylphenyl)benzene (PubChem CID 164894591) has the molecular formula C14H12BrF and a molecular weight of 279.15 g/mol. Its IUPAC name is 1-bromo-2-fluoro-5-methyl-4-(4-methylphenyl)benzene.

Molecular Properties

Compound Name1-bromo-2-fluoro-5-methyl-4-(4-methylphenyl)benzene
PubChem CID164894591
Molecular FormulaC14H12BrF
Molecular Weight279.15 g/mol
Exact Mass278.01
IUPAC Name1-bromo-2-fluoro-5-methyl-4-(4-methylphenyl)benzene
SMILESCc1ccc(-c2cc(F)c(Br)cc2C)cc1
InChIInChI=1S/C14H12BrF/c1-9-3-5-11(6-4-9)12-8-14(16)13(15)7-10(12)2/h3-8H,1-2H3
InChIKeyHRFFRLLAMGECKO-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-fluoro-5-methyl-4-(4-methylphenyl)benzene?
The IUPAC name of 1-bromo-2-fluoro-5-methyl-4-(4-methylphenyl)benzene (CID 164894591) is 1-bromo-2-fluoro-5-methyl-4-(4-methylphenyl)benzene.
What is the SMILES notation for 1-bromo-2-fluoro-5-methyl-4-(4-methylphenyl)benzene?
The canonical SMILES for 1-bromo-2-fluoro-5-methyl-4-(4-methylphenyl)benzene is Cc1ccc(-c2cc(F)c(Br)cc2C)cc1.
What is the InChIKey of 1-bromo-2-fluoro-5-methyl-4-(4-methylphenyl)benzene?
The InChIKey is HRFFRLLAMGECKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF/c1-9-3-5-11(6-4-9)12-8-14(16)13(15)7-10(12)2/h3-8H,1-2H3.
What are the key properties of 1-bromo-2-fluoro-5-methyl-4-(4-methylphenyl)benzene?
1-bromo-2-fluoro-5-methyl-4-(4-methylphenyl)benzene 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-fluoro-5-methyl-4-(4-methylphenyl)benzene is sourced from PubChem (CID 164894591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).