1-[bromo-(2-chlorophenyl)methyl]-2-chloro-4,5-difluorobenzene

C13H7BrCl2F2 — CID 107477492

IUPAC1-[bromo-(2-chlorophenyl)methyl]-2-chloro-4,5-difluorobenzene
SMILESFc1cc(Cl)c(C(Br)c2ccccc2Cl)cc1F
InChIInChI=1S/C13H7BrCl2F2/c14-13(7-3-1-2-4-9(7)15)8-5-11(17)12(18)6-10(8)16/h1-6,13H
InChIKeyFWCODIJMGNKDOL-UHFFFAOYSA-N
MW352.01 g/mol
LogP5.76
Rot. Bonds2

About 1-[bromo-(2-chlorophenyl)methyl]-2-chloro-4,5-difluorobenzene

1-[bromo-(2-chlorophenyl)methyl]-2-chloro-4,5-difluorobenzene (PubChem CID 107477492) has the molecular formula C13H7BrCl2F2 and a molecular weight of 352.01 g/mol. Its IUPAC name is 1-[bromo-(2-chlorophenyl)methyl]-2-chloro-4,5-difluorobenzene.

Molecular Properties

Compound Name1-[bromo-(2-chlorophenyl)methyl]-2-chloro-4,5-difluorobenzene
PubChem CID107477492
Molecular FormulaC13H7BrCl2F2
Molecular Weight352.01 g/mol
Exact Mass349.91
IUPAC Name1-[bromo-(2-chlorophenyl)methyl]-2-chloro-4,5-difluorobenzene
SMILESFc1cc(Cl)c(C(Br)c2ccccc2Cl)cc1F
InChIInChI=1S/C13H7BrCl2F2/c14-13(7-3-1-2-4-9(7)15)8-5-11(17)12(18)6-10(8)16/h1-6,13H
InChIKeyFWCODIJMGNKDOL-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'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-[bromo-(2-chlorophenyl)methyl]-1,4-dichlorobenzene
CID 55198018
1-[bromo-[2-(difluoromethoxy)phenyl]methyl]-2-chloro-4,5-difluorobenzene
CID 107477463
1-[bromo-(2-fluoro-3-methylphenyl)methyl]-2-chloro-4,5-difluorobenzene
CID 107477536
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-(2,4-dichlorophenyl)methyl]-2,4,5-trifluorobenzene
CID 103304158
1-[bromo-(3-chloro-2-methylphenyl)methyl]-2-chloro-4-fluoro-5-methylbenzene
CID 107099330
1-[bromo-(5-bromo-2-chlorophenyl)methyl]-2,4,5-trifluorobenzene
CID 103304119
1-[bromo-(3,4-dichlorophenyl)methyl]-2-chloro-4,5-difluorobenzene
CID 107477662
1-[bromo-(2-methylsulfanylphenyl)methyl]-2-chloro-4-fluoro-5-methylbenzene
CID 81050590
1-[bromo-(3,5-difluorophenyl)methyl]-2-chloro-4,5-difluorobenzene
CID 107477452
1-[bromo-(2-bromo-5-iodophenyl)methyl]-2-chloro-4,5-difluorobenzene
CID 114026323

Frequently Asked Questions

What is the IUPAC name of 1-[bromo-(2-chlorophenyl)methyl]-2-chloro-4,5-difluorobenzene?
The IUPAC name of 1-[bromo-(2-chlorophenyl)methyl]-2-chloro-4,5-difluorobenzene (CID 107477492) is 1-[bromo-(2-chlorophenyl)methyl]-2-chloro-4,5-difluorobenzene.
What is the SMILES notation for 1-[bromo-(2-chlorophenyl)methyl]-2-chloro-4,5-difluorobenzene?
The canonical SMILES for 1-[bromo-(2-chlorophenyl)methyl]-2-chloro-4,5-difluorobenzene is Fc1cc(Cl)c(C(Br)c2ccccc2Cl)cc1F.
What is the InChIKey of 1-[bromo-(2-chlorophenyl)methyl]-2-chloro-4,5-difluorobenzene?
The InChIKey is FWCODIJMGNKDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrCl2F2/c14-13(7-3-1-2-4-9(7)15)8-5-11(17)12(18)6-10(8)16/h1-6,13H.
What are the key properties of 1-[bromo-(2-chlorophenyl)methyl]-2-chloro-4,5-difluorobenzene?
1-[bromo-(2-chlorophenyl)methyl]-2-chloro-4,5-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-(2-chlorophenyl)methyl]-2-chloro-4,5-difluorobenzene is sourced from PubChem (CID 107477492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).