1-[bromo-(2-methylphenyl)methyl]-2,4-difluoro-5-methylbenzene

C15H13BrF2 — CID 79731627

IUPAC1-[bromo-(2-methylphenyl)methyl]-2,4-difluoro-5-methylbenzene
SMILESCc1cc(C(Br)c2ccccc2C)c(F)cc1F
InChIInChI=1S/C15H13BrF2/c1-9-5-3-4-6-11(9)15(16)12-7-10(2)13(17)8-14(12)18/h3-8,15H,1-2H3
InChIKeyCEIHPZGOZXDJGE-UHFFFAOYSA-N
MW311.17 g/mol
LogP5.07
Rot. Bonds2

About 1-[bromo-(2-methylphenyl)methyl]-2,4-difluoro-5-methylbenzene

1-[bromo-(2-methylphenyl)methyl]-2,4-difluoro-5-methylbenzene (PubChem CID 79731627) has the molecular formula C15H13BrF2 and a molecular weight of 311.17 g/mol. Its IUPAC name is 1-[bromo-(2-methylphenyl)methyl]-2,4-difluoro-5-methylbenzene.

Molecular Properties

Compound Name1-[bromo-(2-methylphenyl)methyl]-2,4-difluoro-5-methylbenzene
PubChem CID79731627
Molecular FormulaC15H13BrF2
Molecular Weight311.17 g/mol
Exact Mass310.02
IUPAC Name1-[bromo-(2-methylphenyl)methyl]-2,4-difluoro-5-methylbenzene
SMILESCc1cc(C(Br)c2ccccc2C)c(F)cc1F
InChIInChI=1S/C15H13BrF2/c1-9-5-3-4-6-11(9)15(16)12-7-10(2)13(17)8-14(12)18/h3-8,15H,1-2H3
InChIKeyCEIHPZGOZXDJGE-UHFFFAOYSA-N
XLogP5.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.17
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-[bromo-(2-methylsulfanylphenyl)methyl]-2,4-difluoro-5-methylbenzene
CID 79730436
3-[bromo-(2,4-difluoro-5-methylphenyl)methyl]-1-benzothiophene
CID 79731199
1-[bromo-(2-methylsulfanylphenyl)methyl]-2-chloro-4-fluoro-5-methylbenzene
CID 81050590
2-bromo-5-[bromo-(2,4-difluoro-5-methylphenyl)methyl]furan
CID 79731362
1-[bromo-(2-fluorophenyl)methyl]-2-fluorobenzene
CID 22565374
1-[bromo-(5-chloro-2-methylphenyl)methyl]-2,4,5-trifluorobenzene
CID 103304482
1-[bromo-(3-chloro-2-methylphenyl)methyl]-2-chloro-4-fluoro-5-methylbenzene
CID 107099330
2-[bromo-(2,4-difluoro-5-methylphenyl)methyl]-3-chloro-4-methylthiophene
CID 103404833
1-[bromo(phenyl)methyl]-2-methylbenzene
CID 12875470
(5-bromo-2-fluorophenyl)-(2-methylphenyl)methanol
CID 63894128
1-(2,4-difluoro-5-methylphenyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
CID 81477315
1-[bromo-(4-chloro-2-methylphenyl)methyl]-2-chloro-4-fluoro-5-methylbenzene
CID 114028124

Frequently Asked Questions

What is the IUPAC name of 1-[bromo-(2-methylphenyl)methyl]-2,4-difluoro-5-methylbenzene?
The IUPAC name of 1-[bromo-(2-methylphenyl)methyl]-2,4-difluoro-5-methylbenzene (CID 79731627) is 1-[bromo-(2-methylphenyl)methyl]-2,4-difluoro-5-methylbenzene.
What is the SMILES notation for 1-[bromo-(2-methylphenyl)methyl]-2,4-difluoro-5-methylbenzene?
The canonical SMILES for 1-[bromo-(2-methylphenyl)methyl]-2,4-difluoro-5-methylbenzene is Cc1cc(C(Br)c2ccccc2C)c(F)cc1F.
What is the InChIKey of 1-[bromo-(2-methylphenyl)methyl]-2,4-difluoro-5-methylbenzene?
The InChIKey is CEIHPZGOZXDJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF2/c1-9-5-3-4-6-11(9)15(16)12-7-10(2)13(17)8-14(12)18/h3-8,15H,1-2H3.
What are the key properties of 1-[bromo-(2-methylphenyl)methyl]-2,4-difluoro-5-methylbenzene?
1-[bromo-(2-methylphenyl)methyl]-2,4-difluoro-5-methylbenzene has a molecular weight of 311.17 g/mol, XLogP of 5.07, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bromo-(2-methylphenyl)methyl]-2,4-difluoro-5-methylbenzene is sourced from PubChem (CID 79731627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).