1-[bromo-(5-chloro-2-methylphenyl)methyl]-2,4,5-trifluorobenzene

C14H9BrClF3 — CID 103304482

IUPAC1-[bromo-(5-chloro-2-methylphenyl)methyl]-2,4,5-trifluorobenzene
SMILESCc1ccc(Cl)cc1C(Br)c1cc(F)c(F)cc1F
InChIInChI=1S/C14H9BrClF3/c1-7-2-3-8(16)4-9(7)14(15)10-5-12(18)13(19)6-11(10)17/h2-6,14H,1H3
InChIKeyRZTFQYKVXYXSBA-UHFFFAOYSA-N
MW349.58 g/mol
LogP5.55
Rot. Bonds2

About 1-[bromo-(5-chloro-2-methylphenyl)methyl]-2,4,5-trifluorobenzene

1-[bromo-(5-chloro-2-methylphenyl)methyl]-2,4,5-trifluorobenzene (PubChem CID 103304482) has the molecular formula C14H9BrClF3 and a molecular weight of 349.58 g/mol. Its IUPAC name is 1-[bromo-(5-chloro-2-methylphenyl)methyl]-2,4,5-trifluorobenzene.

Molecular Properties

Compound Name1-[bromo-(5-chloro-2-methylphenyl)methyl]-2,4,5-trifluorobenzene
PubChem CID103304482
Molecular FormulaC14H9BrClF3
Molecular Weight349.58 g/mol
Exact Mass347.95
IUPAC Name1-[bromo-(5-chloro-2-methylphenyl)methyl]-2,4,5-trifluorobenzene
SMILESCc1ccc(Cl)cc1C(Br)c1cc(F)c(F)cc1F
InChIInChI=1S/C14H9BrClF3/c1-7-2-3-8(16)4-9(7)14(15)10-5-12(18)13(19)6-11(10)17/h2-6,14H,1H3
InChIKeyRZTFQYKVXYXSBA-UHFFFAOYSA-N
XLogP5.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.58
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-[bromo-(2,4-dichlorophenyl)methyl]-2,4,5-trifluorobenzene
CID 103304158
1-bromo-5-[bromo-(5-chloro-2-methylphenyl)methyl]-2-fluoro-4-methoxybenzene
CID 103396538
1-[bromo-(2-methylphenyl)methyl]-2,4-difluoro-5-methylbenzene
CID 79731627
1-[bromo-(5-bromo-2-chlorophenyl)methyl]-2,4,5-trifluorobenzene
CID 103304119
3-[bromo-(2,4,5-trifluorophenyl)methyl]-4-methylthiophene
CID 103304188
1-[bromo-(5-chloro-2-methoxyphenyl)methyl]-4-chloro-2,5-difluorobenzene
CID 104546466
1-[bromo-(2,5-dimethylphenyl)methyl]-4-chloro-2-methoxybenzene
CID 55197809
1-[bromo-(2,5-dichlorophenyl)methyl]-4-fluoro-2-methylbenzene
CID 113400098
1-[bromo-(2-bromo-5-methylphenyl)methyl]-2,4,5-trifluorobenzene
CID 103304191
2-[bromo-(5-chloro-2-fluorophenyl)methyl]-3,5-dimethylthiophene
CID 81158655
1-[bromo-(2,5-dimethylphenyl)methyl]-2-fluoro-4,5-dimethoxybenzene
CID 63447999
1-[chloro-(5-chloro-2-methylphenyl)methyl]-2,4-difluorobenzene
CID 82890318

Frequently Asked Questions

What is the IUPAC name of 1-[bromo-(5-chloro-2-methylphenyl)methyl]-2,4,5-trifluorobenzene?
The IUPAC name of 1-[bromo-(5-chloro-2-methylphenyl)methyl]-2,4,5-trifluorobenzene (CID 103304482) is 1-[bromo-(5-chloro-2-methylphenyl)methyl]-2,4,5-trifluorobenzene.
What is the SMILES notation for 1-[bromo-(5-chloro-2-methylphenyl)methyl]-2,4,5-trifluorobenzene?
The canonical SMILES for 1-[bromo-(5-chloro-2-methylphenyl)methyl]-2,4,5-trifluorobenzene is Cc1ccc(Cl)cc1C(Br)c1cc(F)c(F)cc1F.
What is the InChIKey of 1-[bromo-(5-chloro-2-methylphenyl)methyl]-2,4,5-trifluorobenzene?
The InChIKey is RZTFQYKVXYXSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClF3/c1-7-2-3-8(16)4-9(7)14(15)10-5-12(18)13(19)6-11(10)17/h2-6,14H,1H3.
What are the key properties of 1-[bromo-(5-chloro-2-methylphenyl)methyl]-2,4,5-trifluorobenzene?
1-[bromo-(5-chloro-2-methylphenyl)methyl]-2,4,5-trifluorobenzene has a molecular weight of 349.58 g/mol, XLogP of 5.55, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bromo-(5-chloro-2-methylphenyl)methyl]-2,4,5-trifluorobenzene is sourced from PubChem (CID 103304482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).