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

C14H9Br2F3 — CID 103304191

IUPAC1-[bromo-(2-bromo-5-methylphenyl)methyl]-2,4,5-trifluorobenzene
SMILESCc1ccc(Br)c(C(Br)c2cc(F)c(F)cc2F)c1
InChIInChI=1S/C14H9Br2F3/c1-7-2-3-10(15)8(4-7)14(16)9-5-12(18)13(19)6-11(9)17/h2-6,14H,1H3
InChIKeySMAPUTDTYOXVEI-UHFFFAOYSA-N
MW394.03 g/mol
LogP5.66
Rot. Bonds2

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

1-[bromo-(2-bromo-5-methylphenyl)methyl]-2,4,5-trifluorobenzene (PubChem CID 103304191) has the molecular formula C14H9Br2F3 and a molecular weight of 394.03 g/mol. Its IUPAC name is 1-[bromo-(2-bromo-5-methylphenyl)methyl]-2,4,5-trifluorobenzene.

Molecular Properties

Compound Name1-[bromo-(2-bromo-5-methylphenyl)methyl]-2,4,5-trifluorobenzene
PubChem CID103304191
Molecular FormulaC14H9Br2F3
Molecular Weight394.03 g/mol
Exact Mass391.90
IUPAC Name1-[bromo-(2-bromo-5-methylphenyl)methyl]-2,4,5-trifluorobenzene
SMILESCc1ccc(Br)c(C(Br)c2cc(F)c(F)cc2F)c1
InChIInChI=1S/C14H9Br2F3/c1-7-2-3-10(15)8(4-7)14(16)9-5-12(18)13(19)6-11(9)17/h2-6,14H,1H3
InChIKeySMAPUTDTYOXVEI-UHFFFAOYSA-N
XLogP5.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.03
LogP ≤ 55.66
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

(2-bromo-5-methylphenyl)-(2,4,5-trifluorophenyl)methanamine
CID 103301728
1-bromo-2-[bromo-(2,5-dimethylphenyl)methyl]-4-fluorobenzene
CID 63441756
1,4-dibromo-2-[bromo-(2-fluoro-4-methylphenyl)methyl]-5-methylbenzene
CID 81470622
1-bromo-5-[bromo-(2-fluoro-5-methylphenyl)methyl]-2-fluoro-4-methoxybenzene
CID 103396584
2-[bromo-(2-bromo-5-methylphenyl)methyl]-1,3,5-trimethylbenzene
CID 81112447
1-bromo-2-[bromo-(2,4-difluorophenyl)methyl]-4-fluorobenzene
CID 63442403
1-[bromo-(5-chloro-2-methylphenyl)methyl]-2,4,5-trifluorobenzene
CID 103304482
(5-bromo-2-fluorophenyl)-(2-bromo-5-methylphenyl)methanol
CID 115820779
1-[bromo-(2,5-dimethylphenyl)methyl]-2-fluoro-4,5-dimethoxybenzene
CID 63447999
1-(2-bromo-5-methylphenyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
CID 115852683
1-[bromo-(5-bromo-2-chlorophenyl)methyl]-2,4,5-trifluorobenzene
CID 103304119
3-[bromo-(2,4,5-trifluorophenyl)methyl]-4-methylthiophene
CID 103304188

Frequently Asked Questions

What is the IUPAC name of 1-[bromo-(2-bromo-5-methylphenyl)methyl]-2,4,5-trifluorobenzene?
The IUPAC name of 1-[bromo-(2-bromo-5-methylphenyl)methyl]-2,4,5-trifluorobenzene (CID 103304191) is 1-[bromo-(2-bromo-5-methylphenyl)methyl]-2,4,5-trifluorobenzene.
What is the SMILES notation for 1-[bromo-(2-bromo-5-methylphenyl)methyl]-2,4,5-trifluorobenzene?
The canonical SMILES for 1-[bromo-(2-bromo-5-methylphenyl)methyl]-2,4,5-trifluorobenzene is Cc1ccc(Br)c(C(Br)c2cc(F)c(F)cc2F)c1.
What is the InChIKey of 1-[bromo-(2-bromo-5-methylphenyl)methyl]-2,4,5-trifluorobenzene?
The InChIKey is SMAPUTDTYOXVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br2F3/c1-7-2-3-10(15)8(4-7)14(16)9-5-12(18)13(19)6-11(9)17/h2-6,14H,1H3.
What are the key properties of 1-[bromo-(2-bromo-5-methylphenyl)methyl]-2,4,5-trifluorobenzene?
1-[bromo-(2-bromo-5-methylphenyl)methyl]-2,4,5-trifluorobenzene has a molecular weight of 394.03 g/mol, XLogP of 5.66, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bromo-(2-bromo-5-methylphenyl)methyl]-2,4,5-trifluorobenzene is sourced from PubChem (CID 103304191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).