4-(bromomethyl)-2-(3,4-dichlorophenyl)-1-fluorobenzene

C13H8BrCl2F — CID 134629445

IUPAC4-(bromomethyl)-2-(3,4-dichlorophenyl)-1-fluorobenzene
SMILESFc1ccc(CBr)cc1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H8BrCl2F/c14-7-8-1-4-13(17)10(5-8)9-2-3-11(15)12(16)6-9/h1-6H,7H2
InChIKeyWFGUNQQGDLWKRX-UHFFFAOYSA-N
MW334.02 g/mol
LogP5.69
Rot. Bonds2

About 4-(bromomethyl)-2-(3,4-dichlorophenyl)-1-fluorobenzene

4-(bromomethyl)-2-(3,4-dichlorophenyl)-1-fluorobenzene (PubChem CID 134629445) has the molecular formula C13H8BrCl2F and a molecular weight of 334.02 g/mol. Its IUPAC name is 4-(bromomethyl)-2-(3,4-dichlorophenyl)-1-fluorobenzene.

Molecular Properties

Compound Name4-(bromomethyl)-2-(3,4-dichlorophenyl)-1-fluorobenzene
PubChem CID134629445
Molecular FormulaC13H8BrCl2F
Molecular Weight334.02 g/mol
Exact Mass331.92
IUPAC Name4-(bromomethyl)-2-(3,4-dichlorophenyl)-1-fluorobenzene
SMILESFc1ccc(CBr)cc1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H8BrCl2F/c14-7-8-1-4-13(17)10(5-8)9-2-3-11(15)12(16)6-9/h1-6H,7H2
InChIKeyWFGUNQQGDLWKRX-UHFFFAOYSA-N
XLogP5.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.02
LogP ≤ 55.69
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

5-[5-(bromomethyl)-2-fluorophenyl]-1,2,3-trichlorobenzene
CID 134628714
4-(bromomethyl)-1,2-dichlorobenzene;zinc
CID 67230004
1-[5-(bromomethyl)-2-fluorophenyl]-2,3-dichlorobenzene
CID 134629417
[3-(3-chloro-4-methoxyphenyl)-4-fluorophenyl]methanamine
CID 54910650
2-[4-chloro-3-(3,4-difluorophenyl)phenyl]ethanamine
CID 82107251
1-[5-(bromomethyl)-2-(trifluoromethyl)phenyl]-2,4-dichlorobenzene
CID 134629422
5-(5-bromo-2-fluorophenyl)-2-chlorophenol
CID 83130970
1,2,4-trichloro-5-[5-(chloromethyl)-2-fluorophenyl]benzene
CID 134629936
2-(bromomethyl)-1-chloro-4-(2,5-dichlorophenyl)benzene
CID 134625631
4-(bromomethyl)-1-chloro-2-[3-(trifluoromethoxy)phenyl]benzene
CID 134629432
[2-(3,4-dichlorophenyl)-6-fluorophenyl]methanol
CID 118813063
[4-[4-(bromomethyl)phenyl]phenyl]-(3,4-dichlorophenyl)methanone
CID 19043698

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-2-(3,4-dichlorophenyl)-1-fluorobenzene?
The IUPAC name of 4-(bromomethyl)-2-(3,4-dichlorophenyl)-1-fluorobenzene (CID 134629445) is 4-(bromomethyl)-2-(3,4-dichlorophenyl)-1-fluorobenzene.
What is the SMILES notation for 4-(bromomethyl)-2-(3,4-dichlorophenyl)-1-fluorobenzene?
The canonical SMILES for 4-(bromomethyl)-2-(3,4-dichlorophenyl)-1-fluorobenzene is Fc1ccc(CBr)cc1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-(bromomethyl)-2-(3,4-dichlorophenyl)-1-fluorobenzene?
The InChIKey is WFGUNQQGDLWKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrCl2F/c14-7-8-1-4-13(17)10(5-8)9-2-3-11(15)12(16)6-9/h1-6H,7H2.
What are the key properties of 4-(bromomethyl)-2-(3,4-dichlorophenyl)-1-fluorobenzene?
4-(bromomethyl)-2-(3,4-dichlorophenyl)-1-fluorobenzene has a molecular weight of 334.02 g/mol, XLogP of 5.69, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-2-(3,4-dichlorophenyl)-1-fluorobenzene is sourced from PubChem (CID 134629445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).