1-[bromo-(3,4-dichlorophenyl)methyl]-2,4-difluorobenzene

C13H7BrCl2F2 — CID 63442364

IUPAC1-[bromo-(3,4-dichlorophenyl)methyl]-2,4-difluorobenzene
SMILESFc1ccc(C(Br)c2ccc(Cl)c(Cl)c2)c(F)c1
InChIInChI=1S/C13H7BrCl2F2/c14-13(7-1-4-10(15)11(16)5-7)9-3-2-8(17)6-12(9)18/h1-6,13H
InChIKeyNMMJHNKVIVRKGO-UHFFFAOYSA-N
MW352.01 g/mol
LogP5.76
Rot. Bonds2

About 1-[bromo-(3,4-dichlorophenyl)methyl]-2,4-difluorobenzene

1-[bromo-(3,4-dichlorophenyl)methyl]-2,4-difluorobenzene (PubChem CID 63442364) has the molecular formula C13H7BrCl2F2 and a molecular weight of 352.01 g/mol. Its IUPAC name is 1-[bromo-(3,4-dichlorophenyl)methyl]-2,4-difluorobenzene.

Molecular Properties

Compound Name1-[bromo-(3,4-dichlorophenyl)methyl]-2,4-difluorobenzene
PubChem CID63442364
Molecular FormulaC13H7BrCl2F2
Molecular Weight352.01 g/mol
Exact Mass349.91
IUPAC Name1-[bromo-(3,4-dichlorophenyl)methyl]-2,4-difluorobenzene
SMILESFc1ccc(C(Br)c2ccc(Cl)c(Cl)c2)c(F)c1
InChIInChI=1S/C13H7BrCl2F2/c14-13(7-1-4-10(15)11(16)5-7)9-3-2-8(17)6-12(9)18/h1-6,13H
InChIKeyNMMJHNKVIVRKGO-UHFFFAOYSA-N
XLogP5.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.01
LogP ≤ 55.76
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

4-[bromo-(4-fluorophenyl)methyl]-1,2-dichlorobenzene
CID 63437327
1-[bromo-(3,4-dichlorophenyl)methyl]-2-chloro-4,5-difluorobenzene
CID 107477662
2-[bromo-(3,4-dichlorophenyl)methyl]-4-fluoro-1-methoxybenzene
CID 63441083
4-[bromo-(4-chloro-3-fluorophenyl)methyl]-1,2-dichlorobenzene
CID 107991747
1-[bromo-(4-methylphenyl)methyl]-2,4-difluorobenzene
CID 63437391
1-[bromo-(3-chloro-2-fluorophenyl)methyl]-2,4-difluorobenzene
CID 81262674
4-[bromo-(3,4-dichlorophenyl)methyl]-2-fluoro-1-methylbenzene
CID 55197637
1,2-dichloro-4-[chloro-(4-chloro-2-fluorophenyl)methyl]benzene
CID 63436858
4-bromo-1-[bromo-(4-chlorophenyl)methyl]-2-fluorobenzene
CID 63437201
2-bromo-5-[bromo-(2,4-difluorophenyl)methyl]-3-chlorothiophene
CID 80533517
1-[chloro-(2,4-difluorophenyl)methyl]-2,4-difluorobenzene
CID 61086405
5-[bromo-(2,4-difluorophenyl)methyl]-2,3-dihydro-1-benzofuran
CID 61097885

Frequently Asked Questions

What is the IUPAC name of 1-[bromo-(3,4-dichlorophenyl)methyl]-2,4-difluorobenzene?
The IUPAC name of 1-[bromo-(3,4-dichlorophenyl)methyl]-2,4-difluorobenzene (CID 63442364) is 1-[bromo-(3,4-dichlorophenyl)methyl]-2,4-difluorobenzene.
What is the SMILES notation for 1-[bromo-(3,4-dichlorophenyl)methyl]-2,4-difluorobenzene?
The canonical SMILES for 1-[bromo-(3,4-dichlorophenyl)methyl]-2,4-difluorobenzene is Fc1ccc(C(Br)c2ccc(Cl)c(Cl)c2)c(F)c1.
What is the InChIKey of 1-[bromo-(3,4-dichlorophenyl)methyl]-2,4-difluorobenzene?
The InChIKey is NMMJHNKVIVRKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrCl2F2/c14-13(7-1-4-10(15)11(16)5-7)9-3-2-8(17)6-12(9)18/h1-6,13H.
What are the key properties of 1-[bromo-(3,4-dichlorophenyl)methyl]-2,4-difluorobenzene?
1-[bromo-(3,4-dichlorophenyl)methyl]-2,4-difluorobenzene has a molecular weight of 352.01 g/mol, XLogP of 5.76, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bromo-(3,4-dichlorophenyl)methyl]-2,4-difluorobenzene is sourced from PubChem (CID 63442364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).