1-bromo-3-[chloro-(2,4-dichlorophenyl)methyl]-5-fluorobenzene

C13H7BrCl3F — CID 63444025

IUPAC1-bromo-3-[chloro-(2,4-dichlorophenyl)methyl]-5-fluorobenzene
SMILESFc1cc(Br)cc(C(Cl)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C13H7BrCl3F/c14-8-3-7(4-10(18)5-8)13(17)11-2-1-9(15)6-12(11)16/h1-6,13H
InChIKeyWPQACBKXQUSJQU-UHFFFAOYSA-N
MW368.46 g/mol
LogP6.22
Rot. Bonds2

About 1-bromo-3-[chloro-(2,4-dichlorophenyl)methyl]-5-fluorobenzene

1-bromo-3-[chloro-(2,4-dichlorophenyl)methyl]-5-fluorobenzene (PubChem CID 63444025) has the molecular formula C13H7BrCl3F and a molecular weight of 368.46 g/mol. Its IUPAC name is 1-bromo-3-[chloro-(2,4-dichlorophenyl)methyl]-5-fluorobenzene.

Molecular Properties

Compound Name1-bromo-3-[chloro-(2,4-dichlorophenyl)methyl]-5-fluorobenzene
PubChem CID63444025
Molecular FormulaC13H7BrCl3F
Molecular Weight368.46 g/mol
Exact Mass365.88
IUPAC Name1-bromo-3-[chloro-(2,4-dichlorophenyl)methyl]-5-fluorobenzene
SMILESFc1cc(Br)cc(C(Cl)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C13H7BrCl3F/c14-8-3-7(4-10(18)5-8)13(17)11-2-1-9(15)6-12(11)16/h1-6,13H
InChIKeyWPQACBKXQUSJQU-UHFFFAOYSA-N
XLogP6.22
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 ≤ 56.22
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-3-[chloro-(2,5-difluorophenyl)methyl]-5-fluorobenzene
CID 63430531
1-[(4-bromophenyl)-chloromethyl]-2,4-dichlorobenzene
CID 63429159
1-(3-bromo-5-fluorophenyl)-1-(2,4-dichlorophenyl)-N-methylmethanamine
CID 63502754
1,3-dichloro-5-[chloro-(2,4-dichlorophenyl)methyl]benzene
CID 63444209
2-[(3-bromo-5-fluorophenyl)-chloromethyl]-1,3,5-trifluorobenzene
CID 63430505
1-[(3-bromo-4-chlorophenyl)-chloromethyl]-2,4-dichlorobenzene
CID 114024931
1-bromo-3-[chloro-(4-propan-2-ylphenyl)methyl]-5-fluorobenzene
CID 63434558
2,4-dichloro-1-[chloro-(2,5-difluorophenyl)methyl]benzene
CID 63430449
2-chloro-1-[chloro-(4-chlorophenyl)methyl]-4-fluorobenzene
CID 63429018
1-[(5-bromo-2-chlorophenyl)-chloromethyl]-2,4-dichlorobenzene
CID 63444065
(3-bromo-5-fluorophenyl)-(2,3,4-trifluorophenyl)methanamine
CID 66425066
1-[chloro-(3,5-dibromophenyl)methyl]-4-fluoronaphthalene
CID 107980937

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-[chloro-(2,4-dichlorophenyl)methyl]-5-fluorobenzene?
The IUPAC name of 1-bromo-3-[chloro-(2,4-dichlorophenyl)methyl]-5-fluorobenzene (CID 63444025) is 1-bromo-3-[chloro-(2,4-dichlorophenyl)methyl]-5-fluorobenzene.
What is the SMILES notation for 1-bromo-3-[chloro-(2,4-dichlorophenyl)methyl]-5-fluorobenzene?
The canonical SMILES for 1-bromo-3-[chloro-(2,4-dichlorophenyl)methyl]-5-fluorobenzene is Fc1cc(Br)cc(C(Cl)c2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 1-bromo-3-[chloro-(2,4-dichlorophenyl)methyl]-5-fluorobenzene?
The InChIKey is WPQACBKXQUSJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrCl3F/c14-8-3-7(4-10(18)5-8)13(17)11-2-1-9(15)6-12(11)16/h1-6,13H.
What are the key properties of 1-bromo-3-[chloro-(2,4-dichlorophenyl)methyl]-5-fluorobenzene?
1-bromo-3-[chloro-(2,4-dichlorophenyl)methyl]-5-fluorobenzene has a molecular weight of 368.46 g/mol, XLogP of 6.22, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-[chloro-(2,4-dichlorophenyl)methyl]-5-fluorobenzene is sourced from PubChem (CID 63444025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).