1-[5-(bromomethyl)-2-fluorophenyl]-2,3-dichlorobenzene

C13H8BrCl2F — CID 134629417

IUPAC1-[5-(bromomethyl)-2-fluorophenyl]-2,3-dichlorobenzene
SMILESFc1ccc(CBr)cc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C13H8BrCl2F/c14-7-8-4-5-12(17)10(6-8)9-2-1-3-11(15)13(9)16/h1-6H,7H2
InChIKeyFLCRBIIRWZNLKF-UHFFFAOYSA-N
MW334.02 g/mol
LogP5.69
Rot. Bonds2

About 1-[5-(bromomethyl)-2-fluorophenyl]-2,3-dichlorobenzene

1-[5-(bromomethyl)-2-fluorophenyl]-2,3-dichlorobenzene (PubChem CID 134629417) has the molecular formula C13H8BrCl2F and a molecular weight of 334.02 g/mol. Its IUPAC name is 1-[5-(bromomethyl)-2-fluorophenyl]-2,3-dichlorobenzene.

Molecular Properties

Compound Name1-[5-(bromomethyl)-2-fluorophenyl]-2,3-dichlorobenzene
PubChem CID134629417
Molecular FormulaC13H8BrCl2F
Molecular Weight334.02 g/mol
Exact Mass331.92
IUPAC Name1-[5-(bromomethyl)-2-fluorophenyl]-2,3-dichlorobenzene
SMILESFc1ccc(CBr)cc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C13H8BrCl2F/c14-7-8-4-5-12(17)10(6-8)9-2-1-3-11(15)13(9)16/h1-6H,7H2
InChIKeyFLCRBIIRWZNLKF-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

[3-(2,3-dichlorophenyl)-4-fluorophenyl]methanamine
CID 54912158
2-[3-(2,3-dichlorophenyl)-4-fluorophenyl]acetic acid
CID 118852499
5-[5-(bromomethyl)-2-fluorophenyl]-1,2,3-trichlorobenzene
CID 134628714
4-(bromomethyl)-2-(3,4-dichlorophenyl)-1-fluorobenzene
CID 134629445
1,2-dichloro-3-[2-fluoro-5-(trifluoromethoxy)phenyl]benzene
CID 118809524
1-(bromomethyl)-3-(2,3-dichlorophenyl)-5-(trifluoromethyl)benzene
CID 134625577
3-(2,3-dichlorophenyl)-1,2,4,5-tetrafluorobenzene
CID 118803913
1,2-dichloro-3-[5-chloro-2-(trifluoromethyl)phenyl]benzene
CID 134629579
1-[5-(bromomethyl)-2-(trifluoromethyl)phenyl]-2,4-dichlorobenzene
CID 134629422
3,5-bis(2,3-dichlorophenyl)-4-fluoropyridine
CID 133090739
2-[4-fluoro-3-(2,3,4,5,6-pentachlorophenyl)phenyl]acetonitrile
CID 134631147
1-(2,3-dichlorophenyl)-3-(2,3-difluorophenyl)-2,4-difluorobenzene
CID 141040222

Frequently Asked Questions

What is the IUPAC name of 1-[5-(bromomethyl)-2-fluorophenyl]-2,3-dichlorobenzene?
The IUPAC name of 1-[5-(bromomethyl)-2-fluorophenyl]-2,3-dichlorobenzene (CID 134629417) is 1-[5-(bromomethyl)-2-fluorophenyl]-2,3-dichlorobenzene.
What is the SMILES notation for 1-[5-(bromomethyl)-2-fluorophenyl]-2,3-dichlorobenzene?
The canonical SMILES for 1-[5-(bromomethyl)-2-fluorophenyl]-2,3-dichlorobenzene is Fc1ccc(CBr)cc1-c1cccc(Cl)c1Cl.
What is the InChIKey of 1-[5-(bromomethyl)-2-fluorophenyl]-2,3-dichlorobenzene?
The InChIKey is FLCRBIIRWZNLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrCl2F/c14-7-8-4-5-12(17)10(6-8)9-2-1-3-11(15)13(9)16/h1-6H,7H2.
What are the key properties of 1-[5-(bromomethyl)-2-fluorophenyl]-2,3-dichlorobenzene?
1-[5-(bromomethyl)-2-fluorophenyl]-2,3-dichlorobenzene 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 1-[5-(bromomethyl)-2-fluorophenyl]-2,3-dichlorobenzene is sourced from PubChem (CID 134629417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).