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

C13H6BrCl2F3 — CID 103304158

IUPAC1-[bromo-(2,4-dichlorophenyl)methyl]-2,4,5-trifluorobenzene
SMILESFc1cc(F)c(C(Br)c2ccc(Cl)cc2Cl)cc1F
InChIInChI=1S/C13H6BrCl2F3/c14-13(7-2-1-6(15)3-9(7)16)8-4-11(18)12(19)5-10(8)17/h1-5,13H
InChIKeyVTZSPONYORPBPL-UHFFFAOYSA-N
MW370.00 g/mol
LogP5.89
Rot. Bonds2

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

1-[bromo-(2,4-dichlorophenyl)methyl]-2,4,5-trifluorobenzene (PubChem CID 103304158) has the molecular formula C13H6BrCl2F3 and a molecular weight of 370.00 g/mol. Its IUPAC name is 1-[bromo-(2,4-dichlorophenyl)methyl]-2,4,5-trifluorobenzene.

Molecular Properties

Compound Name1-[bromo-(2,4-dichlorophenyl)methyl]-2,4,5-trifluorobenzene
PubChem CID103304158
Molecular FormulaC13H6BrCl2F3
Molecular Weight370.00 g/mol
Exact Mass367.90
IUPAC Name1-[bromo-(2,4-dichlorophenyl)methyl]-2,4,5-trifluorobenzene
SMILESFc1cc(F)c(C(Br)c2ccc(Cl)cc2Cl)cc1F
InChIInChI=1S/C13H6BrCl2F3/c14-13(7-2-1-6(15)3-9(7)16)8-4-11(18)12(19)5-10(8)17/h1-5,13H
InChIKeyVTZSPONYORPBPL-UHFFFAOYSA-N
XLogP5.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.00
LogP ≤ 55.89
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-4-[bromo-(2,4-dichlorophenyl)methyl]-2-chloro-5-fluorobenzene
CID 105400009
1-[bromo-(5-chloro-2-methylphenyl)methyl]-2,4,5-trifluorobenzene
CID 103304482
1-[bromo-(5-bromo-2-chlorophenyl)methyl]-2,4,5-trifluorobenzene
CID 103304119
1-[bromo-(2-chloro-4,5-difluorophenyl)methyl]-2,3,4-trifluorobenzene
CID 107477574
1-[bromo-(5-bromo-2-fluorophenyl)methyl]-2-chloro-4,5-difluorobenzene
CID 107477553
1-[bromo-(2-chlorophenyl)methyl]-2-chloro-4,5-difluorobenzene
CID 107477492
1-[bromo-(2-chloro-6-fluorophenyl)methyl]-2,4-dichlorobenzene
CID 63443899
1-[bromo-(2-iodophenyl)methyl]-2,4-dichlorobenzene
CID 63444485
2-[bromo-(4-bromo-2-chlorophenyl)methyl]-1,4-dichlorobenzene
CID 63445029
1-[bromo-(3-chloro-5-methylphenyl)methyl]-2,4-dichlorobenzene
CID 81324147
1-[bromo(fluoro)methyl]-4-chloro-2-fluorobenzene
CID 174572103
1-[bromo-(5-chloro-2-methoxyphenyl)methyl]-4-chloro-2,5-difluorobenzene
CID 104546466

Frequently Asked Questions

What is the IUPAC name of 1-[bromo-(2,4-dichlorophenyl)methyl]-2,4,5-trifluorobenzene?
The IUPAC name of 1-[bromo-(2,4-dichlorophenyl)methyl]-2,4,5-trifluorobenzene (CID 103304158) is 1-[bromo-(2,4-dichlorophenyl)methyl]-2,4,5-trifluorobenzene.
What is the SMILES notation for 1-[bromo-(2,4-dichlorophenyl)methyl]-2,4,5-trifluorobenzene?
The canonical SMILES for 1-[bromo-(2,4-dichlorophenyl)methyl]-2,4,5-trifluorobenzene is Fc1cc(F)c(C(Br)c2ccc(Cl)cc2Cl)cc1F.
What is the InChIKey of 1-[bromo-(2,4-dichlorophenyl)methyl]-2,4,5-trifluorobenzene?
The InChIKey is VTZSPONYORPBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6BrCl2F3/c14-13(7-2-1-6(15)3-9(7)16)8-4-11(18)12(19)5-10(8)17/h1-5,13H.
What are the key properties of 1-[bromo-(2,4-dichlorophenyl)methyl]-2,4,5-trifluorobenzene?
1-[bromo-(2,4-dichlorophenyl)methyl]-2,4,5-trifluorobenzene has a molecular weight of 370.00 g/mol, XLogP of 5.89, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bromo-(2,4-dichlorophenyl)methyl]-2,4,5-trifluorobenzene is sourced from PubChem (CID 103304158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).