1-[2-(bromomethyl)-5-fluorophenyl]-2,4,5-trichlorobenzene

C13H7BrCl3F — CID 134619464

IUPAC1-[2-(bromomethyl)-5-fluorophenyl]-2,4,5-trichlorobenzene
SMILESFc1ccc(CBr)c(-c2cc(Cl)c(Cl)cc2Cl)c1
InChIInChI=1S/C13H7BrCl3F/c14-6-7-1-2-8(18)3-9(7)10-4-12(16)13(17)5-11(10)15/h1-5H,6H2
InChIKeyYSNGOZVIGHKNCW-UHFFFAOYSA-N
MW368.46 g/mol
LogP6.35
Rot. Bonds2

About 1-[2-(bromomethyl)-5-fluorophenyl]-2,4,5-trichlorobenzene

1-[2-(bromomethyl)-5-fluorophenyl]-2,4,5-trichlorobenzene (PubChem CID 134619464) has the molecular formula C13H7BrCl3F and a molecular weight of 368.46 g/mol. Its IUPAC name is 1-[2-(bromomethyl)-5-fluorophenyl]-2,4,5-trichlorobenzene.

Molecular Properties

Compound Name1-[2-(bromomethyl)-5-fluorophenyl]-2,4,5-trichlorobenzene
PubChem CID134619464
Molecular FormulaC13H7BrCl3F
Molecular Weight368.46 g/mol
Exact Mass365.88
IUPAC Name1-[2-(bromomethyl)-5-fluorophenyl]-2,4,5-trichlorobenzene
SMILESFc1ccc(CBr)c(-c2cc(Cl)c(Cl)cc2Cl)c1
InChIInChI=1S/C13H7BrCl3F/c14-6-7-1-2-8(18)3-9(7)10-4-12(16)13(17)5-11(10)15/h1-5H,6H2
InChIKeyYSNGOZVIGHKNCW-UHFFFAOYSA-N
XLogP6.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.46
LogP ≤ 56.35
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'}

Analyze 1-[2-(bromomethyl)-5-fluorophenyl]-2,4,5-trichlorobenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(2-chloro-5-fluorophenyl)-4-fluorophenyl]methanol
CID 172653766
1-[[4-(bromomethyl)phenoxy]methyl]-2-chloro-4-fluorobenzene
CID 43141547
(2-chloro-4-fluorophenyl)methyl-trifluoroboranuide
CID 63703825
1-(bromomethyl)-2-(difluoromethyl)-4-fluorobenzene
CID 138484081
1-[2-(bromomethyl)phenoxy]-2-chloro-4-fluorobenzene
CID 107087875
[2-(2-chloro-5-fluorophenyl)-4-propan-2-yloxyphenyl]methanamine;hydrochloride
CID 172653793
CID 171836112
CID 171836112
2-(bromomethyl)-4-fluoro-1-iodobenzene
CID 75412008
[2-(4-chloro-2,5-dimethylphenyl)-4-fluorophenyl]methanamine
CID 114060514
1-(bromomethyl)-2-[(2-chloro-4-fluorophenyl)methoxy]-3-fluorobenzene
CID 112614047
1-(bromomethyl)-4-(2-chloro-4-fluorophenoxy)-2-methylbenzene
CID 107087869
[2-(2-chloro-5-fluorophenyl)phenyl]methanamine
CID 105395671

Frequently Asked Questions

What is the IUPAC name of 1-[2-(bromomethyl)-5-fluorophenyl]-2,4,5-trichlorobenzene?
The IUPAC name of 1-[2-(bromomethyl)-5-fluorophenyl]-2,4,5-trichlorobenzene (CID 134619464) is 1-[2-(bromomethyl)-5-fluorophenyl]-2,4,5-trichlorobenzene.
What is the SMILES notation for 1-[2-(bromomethyl)-5-fluorophenyl]-2,4,5-trichlorobenzene?
The canonical SMILES for 1-[2-(bromomethyl)-5-fluorophenyl]-2,4,5-trichlorobenzene is Fc1ccc(CBr)c(-c2cc(Cl)c(Cl)cc2Cl)c1.
What is the InChIKey of 1-[2-(bromomethyl)-5-fluorophenyl]-2,4,5-trichlorobenzene?
The InChIKey is YSNGOZVIGHKNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrCl3F/c14-6-7-1-2-8(18)3-9(7)10-4-12(16)13(17)5-11(10)15/h1-5H,6H2.
What are the key properties of 1-[2-(bromomethyl)-5-fluorophenyl]-2,4,5-trichlorobenzene?
1-[2-(bromomethyl)-5-fluorophenyl]-2,4,5-trichlorobenzene has a molecular weight of 368.46 g/mol, XLogP of 6.35, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(bromomethyl)-5-fluorophenyl]-2,4,5-trichlorobenzene is sourced from PubChem (CID 134619464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).