4-(bromomethyl)-1-(4-bromophenoxy)-2-fluorobenzene

C13H9Br2FO — CID 107086895

IUPAC4-(bromomethyl)-1-(4-bromophenoxy)-2-fluorobenzene
SMILESFc1cc(CBr)ccc1Oc1ccc(Br)cc1
InChIInChI=1S/C13H9Br2FO/c14-8-9-1-6-13(12(16)7-9)17-11-4-2-10(15)3-5-11/h1-7H,8H2
InChIKeyXRHXPHGBMWFQNK-UHFFFAOYSA-N
MW360.02 g/mol
LogP5.28
Rot. Bonds3

About 4-(bromomethyl)-1-(4-bromophenoxy)-2-fluorobenzene

4-(bromomethyl)-1-(4-bromophenoxy)-2-fluorobenzene (PubChem CID 107086895) has the molecular formula C13H9Br2FO and a molecular weight of 360.02 g/mol. Its IUPAC name is 4-(bromomethyl)-1-(4-bromophenoxy)-2-fluorobenzene.

Molecular Properties

Compound Name4-(bromomethyl)-1-(4-bromophenoxy)-2-fluorobenzene
PubChem CID107086895
Molecular FormulaC13H9Br2FO
Molecular Weight360.02 g/mol
Exact Mass357.90
IUPAC Name4-(bromomethyl)-1-(4-bromophenoxy)-2-fluorobenzene
SMILESFc1cc(CBr)ccc1Oc1ccc(Br)cc1
InChIInChI=1S/C13H9Br2FO/c14-8-9-1-6-13(12(16)7-9)17-11-4-2-10(15)3-5-11/h1-7H,8H2
InChIKeyXRHXPHGBMWFQNK-UHFFFAOYSA-N
XLogP5.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.02
LogP ≤ 55.28
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

4-(bromomethyl)-2-fluoro-1-(4-methoxyphenoxy)benzene
CID 107087234
1-bromo-4-[4-(bromomethyl)-2-fluorophenoxy]-2-methylbenzene
CID 107089080
4-(bromomethyl)-1-(4-butylphenoxy)-2-fluorobenzene
CID 107089012
4-(bromomethyl)-2-fluoro-1-[4-(2-methoxyethyl)phenoxy]benzene
CID 107087633
1-[4-(bromomethyl)-2-fluorophenoxy]-3,5-dimethoxybenzene
CID 107087773
1-[4-(bromomethyl)-2-fluorophenoxy]-3,5-dimethylbenzene
CID 107087006
4-(bromomethyl)-2-fluoro-1-(3-methylphenoxy)benzene
CID 107087025
4-(bromomethyl)-2-fluoro-1-(3-fluoro-4-nitrophenoxy)benzene
CID 107088215
4-(bromomethyl)-1-(4-bromo-2-nitrophenoxy)-2-fluorobenzene
CID 107088741
N-[[4-(4-bromo-2-fluorophenoxy)phenyl]methyl]propan-2-amine
CID 43283633
3-[4-(bromomethyl)-2-fluorophenoxy]-5-methoxybenzonitrile
CID 107089456
4-(bromomethyl)-2-fluoro-1-(2-methoxyphenoxy)benzene
CID 107087181

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-1-(4-bromophenoxy)-2-fluorobenzene?
The IUPAC name of 4-(bromomethyl)-1-(4-bromophenoxy)-2-fluorobenzene (CID 107086895) is 4-(bromomethyl)-1-(4-bromophenoxy)-2-fluorobenzene.
What is the SMILES notation for 4-(bromomethyl)-1-(4-bromophenoxy)-2-fluorobenzene?
The canonical SMILES for 4-(bromomethyl)-1-(4-bromophenoxy)-2-fluorobenzene is Fc1cc(CBr)ccc1Oc1ccc(Br)cc1.
What is the InChIKey of 4-(bromomethyl)-1-(4-bromophenoxy)-2-fluorobenzene?
The InChIKey is XRHXPHGBMWFQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br2FO/c14-8-9-1-6-13(12(16)7-9)17-11-4-2-10(15)3-5-11/h1-7H,8H2.
What are the key properties of 4-(bromomethyl)-1-(4-bromophenoxy)-2-fluorobenzene?
4-(bromomethyl)-1-(4-bromophenoxy)-2-fluorobenzene has a molecular weight of 360.02 g/mol, XLogP of 5.28, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-1-(4-bromophenoxy)-2-fluorobenzene is sourced from PubChem (CID 107086895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).