2-(3-bromophenyl)-1-(chloromethyl)-3-fluorobenzene

C13H9BrClF — CID 165445038

IUPAC2-(3-bromophenyl)-1-(chloromethyl)-3-fluorobenzene
SMILESFc1cccc(CCl)c1-c1cccc(Br)c1
InChIInChI=1S/C13H9BrClF/c14-11-5-1-3-9(7-11)13-10(8-15)4-2-6-12(13)16/h1-7H,8H2
InChIKeyROEMNTYKTMYVED-UHFFFAOYSA-N
MW299.57 g/mol
LogP4.99
Rot. Bonds2

About 2-(3-bromophenyl)-1-(chloromethyl)-3-fluorobenzene

2-(3-bromophenyl)-1-(chloromethyl)-3-fluorobenzene (PubChem CID 165445038) has the molecular formula C13H9BrClF and a molecular weight of 299.57 g/mol. Its IUPAC name is 2-(3-bromophenyl)-1-(chloromethyl)-3-fluorobenzene.

Molecular Properties

Compound Name2-(3-bromophenyl)-1-(chloromethyl)-3-fluorobenzene
PubChem CID165445038
Molecular FormulaC13H9BrClF
Molecular Weight299.57 g/mol
Exact Mass297.96
IUPAC Name2-(3-bromophenyl)-1-(chloromethyl)-3-fluorobenzene
SMILESFc1cccc(CCl)c1-c1cccc(Br)c1
InChIInChI=1S/C13H9BrClF/c14-11-5-1-3-9(7-11)13-10(8-15)4-2-6-12(13)16/h1-7H,8H2
InChIKeyROEMNTYKTMYVED-UHFFFAOYSA-N
XLogP4.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.57
LogP ≤ 54.99
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-(chloromethyl)-3-fluoro-2-[4-(trifluoromethoxy)phenyl]benzene
CID 134620016
1-(chloromethyl)-3-fluoro-2-methylbenzene
CID 53403085
5-(3-bromophenyl)-3-(2,6-difluorophenyl)-1,2,4-oxadiazole
CID 7354772
4-bromo-1-(chloromethyl)-2-fluorobenzene;methane
CID 174575273
4-(3-bromophenyl)-5-(2-chloro-6-fluorophenyl)-1,2-oxazol-3-amine
CID 66200850
4-bromo-2-(chloromethyl)-1-[(2-fluorophenyl)methoxy]benzene
CID 28981507
1-bromo-3-[4-(4-chlorophenyl)phenyl]benzene
CID 71132921
2-(3-bromopropyl)-1-(chloromethyl)-3-fluorobenzene
CID 131342110
[2-(3,5-dichlorophenyl)-3-fluorophenyl]methanamine
CID 134631487
5-(3-bromophenyl)-2-fluorophenol
CID 115049622
2-(3-fluoro-2-phenylphenyl)acetic acid
CID 46314797
4-bromo-2-(chloromethyl)-1-phenylbenzene
CID 57057956

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-1-(chloromethyl)-3-fluorobenzene?
The IUPAC name of 2-(3-bromophenyl)-1-(chloromethyl)-3-fluorobenzene (CID 165445038) is 2-(3-bromophenyl)-1-(chloromethyl)-3-fluorobenzene.
What is the SMILES notation for 2-(3-bromophenyl)-1-(chloromethyl)-3-fluorobenzene?
The canonical SMILES for 2-(3-bromophenyl)-1-(chloromethyl)-3-fluorobenzene is Fc1cccc(CCl)c1-c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-1-(chloromethyl)-3-fluorobenzene?
The InChIKey is ROEMNTYKTMYVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClF/c14-11-5-1-3-9(7-11)13-10(8-15)4-2-6-12(13)16/h1-7H,8H2.
What are the key properties of 2-(3-bromophenyl)-1-(chloromethyl)-3-fluorobenzene?
2-(3-bromophenyl)-1-(chloromethyl)-3-fluorobenzene has a molecular weight of 299.57 g/mol, XLogP of 4.99, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-1-(chloromethyl)-3-fluorobenzene is sourced from PubChem (CID 165445038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).