1-(5-bromo-2-fluorophenoxy)-4-(bromomethyl)-2-methylbenzene

C14H11Br2FO — CID 107089318

IUPAC1-(5-bromo-2-fluorophenoxy)-4-(bromomethyl)-2-methylbenzene
SMILESCc1cc(CBr)ccc1Oc1cc(Br)ccc1F
InChIInChI=1S/C14H11Br2FO/c1-9-6-10(8-15)2-5-13(9)18-14-7-11(16)3-4-12(14)17/h2-7H,8H2,1H3
InChIKeyFOAFRWJREIVDPY-UHFFFAOYSA-N
MW374.05 g/mol
LogP5.58
Rot. Bonds3

About 1-(5-bromo-2-fluorophenoxy)-4-(bromomethyl)-2-methylbenzene

1-(5-bromo-2-fluorophenoxy)-4-(bromomethyl)-2-methylbenzene (PubChem CID 107089318) has the molecular formula C14H11Br2FO and a molecular weight of 374.05 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenoxy)-4-(bromomethyl)-2-methylbenzene.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenoxy)-4-(bromomethyl)-2-methylbenzene
PubChem CID107089318
Molecular FormulaC14H11Br2FO
Molecular Weight374.05 g/mol
Exact Mass371.92
IUPAC Name1-(5-bromo-2-fluorophenoxy)-4-(bromomethyl)-2-methylbenzene
SMILESCc1cc(CBr)ccc1Oc1cc(Br)ccc1F
InChIInChI=1S/C14H11Br2FO/c1-9-6-10(8-15)2-5-13(9)18-14-7-11(16)3-4-12(14)17/h2-7H,8H2,1H3
InChIKeyFOAFRWJREIVDPY-UHFFFAOYSA-N
XLogP5.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.05
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-[4-(5-bromo-2-fluorophenoxy)-3-methylphenyl]butan-2-amine
CID 114677110
1-(5-bromo-2-fluorophenoxy)-4-(bromomethyl)-2-(trifluoromethyl)benzene
CID 107089323
1-[4-(bromomethyl)-2-fluorophenoxy]-4-chloro-2-methylbenzene
CID 107087281
2-[4-(4-bromo-2-fluorophenoxy)-3-methylphenyl]ethanamine
CID 55238939
1-[4-(bromomethyl)-2-fluorophenoxy]-4-tert-butyl-2-methylbenzene
CID 107087600
1-[4-(5-bromo-2-fluorophenoxy)-3-fluorophenyl]-N-methylmethanamine
CID 114674328
2,4-dibromo-1-[2-bromo-4-(bromomethyl)phenoxy]benzene
CID 114062644
2-(5-bromo-2-fluorophenoxy)-5-(bromomethyl)pyrimidine
CID 107089324
2-[4-(bromomethyl)-2-methylphenoxy]-6-fluorobenzonitrile
CID 107087791
2-[4-(5-bromo-2,3-difluorophenoxy)-3-methylphenyl]ethanamine
CID 107102003
2,4-dibromo-1-[4-(chloromethyl)-2-methylphenoxy]benzene
CID 64720664
4-(bromomethyl)-1-(4-bromophenoxy)-2-fluorobenzene
CID 107086895

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenoxy)-4-(bromomethyl)-2-methylbenzene?
The IUPAC name of 1-(5-bromo-2-fluorophenoxy)-4-(bromomethyl)-2-methylbenzene (CID 107089318) is 1-(5-bromo-2-fluorophenoxy)-4-(bromomethyl)-2-methylbenzene.
What is the SMILES notation for 1-(5-bromo-2-fluorophenoxy)-4-(bromomethyl)-2-methylbenzene?
The canonical SMILES for 1-(5-bromo-2-fluorophenoxy)-4-(bromomethyl)-2-methylbenzene is Cc1cc(CBr)ccc1Oc1cc(Br)ccc1F.
What is the InChIKey of 1-(5-bromo-2-fluorophenoxy)-4-(bromomethyl)-2-methylbenzene?
The InChIKey is FOAFRWJREIVDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2FO/c1-9-6-10(8-15)2-5-13(9)18-14-7-11(16)3-4-12(14)17/h2-7H,8H2,1H3.
What are the key properties of 1-(5-bromo-2-fluorophenoxy)-4-(bromomethyl)-2-methylbenzene?
1-(5-bromo-2-fluorophenoxy)-4-(bromomethyl)-2-methylbenzene has a molecular weight of 374.05 g/mol, XLogP of 5.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenoxy)-4-(bromomethyl)-2-methylbenzene is sourced from PubChem (CID 107089318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).