1-[2-(bromomethyl)-4-fluorophenoxy]-3,5-dichlorobenzene

C13H8BrCl2FO — CID 107087809

IUPAC1-[2-(bromomethyl)-4-fluorophenoxy]-3,5-dichlorobenzene
SMILESFc1ccc(Oc2cc(Cl)cc(Cl)c2)c(CBr)c1
InChIInChI=1S/C13H8BrCl2FO/c14-7-8-3-11(17)1-2-13(8)18-12-5-9(15)4-10(16)6-12/h1-6H,7H2
InChIKeyHJQNIHWHXDBCSS-UHFFFAOYSA-N
MW350.01 g/mol
LogP5.82
Rot. Bonds3

About 1-[2-(bromomethyl)-4-fluorophenoxy]-3,5-dichlorobenzene

1-[2-(bromomethyl)-4-fluorophenoxy]-3,5-dichlorobenzene (PubChem CID 107087809) has the molecular formula C13H8BrCl2FO and a molecular weight of 350.01 g/mol. Its IUPAC name is 1-[2-(bromomethyl)-4-fluorophenoxy]-3,5-dichlorobenzene.

Molecular Properties

Compound Name1-[2-(bromomethyl)-4-fluorophenoxy]-3,5-dichlorobenzene
PubChem CID107087809
Molecular FormulaC13H8BrCl2FO
Molecular Weight350.01 g/mol
Exact Mass347.91
IUPAC Name1-[2-(bromomethyl)-4-fluorophenoxy]-3,5-dichlorobenzene
SMILESFc1ccc(Oc2cc(Cl)cc(Cl)c2)c(CBr)c1
InChIInChI=1S/C13H8BrCl2FO/c14-7-8-3-11(17)1-2-13(8)18-12-5-9(15)4-10(16)6-12/h1-6H,7H2
InChIKeyHJQNIHWHXDBCSS-UHFFFAOYSA-N
XLogP5.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.01
LogP ≤ 55.82
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-[2-(bromomethyl)-4-fluorophenoxy]-4-chloro-2-fluorobenzene
CID 114267907
1-[2-(3,5-dichlorophenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 43622050
N-[[2-(3,5-dichlorophenoxy)-5-fluorophenyl]methyl]propan-2-amine
CID 43622055
2-(bromomethyl)-1-[(5-chloro-2-fluorophenyl)methoxy]-4-fluorobenzene
CID 107698978
1-[2-(bromomethyl)phenoxy]-2-chloro-4-fluorobenzene
CID 107087875
5-[2-(bromomethyl)-4-chlorophenoxy]-2-chloro-1,3-dimethylbenzene
CID 107087711
1-[4-chloro-2-(chloromethyl)phenoxy]-3,5-difluorobenzene
CID 114847104
1-(bromomethyl)-4-(2-chloro-4-fluorophenoxy)-2-methylbenzene
CID 107087869
2-(2-bromoethyl)-1-[2-(2-bromoethyl)-4-fluorophenoxy]-4-fluorobenzene
CID 67404843
1-[2-(3-chlorophenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 43314250
[2-(3,5-dichlorophenoxy)phenyl]methanamine
CID 43622066
[2-(4-chloro-3,5-dimethylphenoxy)-5-fluorophenyl]methanamine
CID 43314373

Frequently Asked Questions

What is the IUPAC name of 1-[2-(bromomethyl)-4-fluorophenoxy]-3,5-dichlorobenzene?
The IUPAC name of 1-[2-(bromomethyl)-4-fluorophenoxy]-3,5-dichlorobenzene (CID 107087809) is 1-[2-(bromomethyl)-4-fluorophenoxy]-3,5-dichlorobenzene.
What is the SMILES notation for 1-[2-(bromomethyl)-4-fluorophenoxy]-3,5-dichlorobenzene?
The canonical SMILES for 1-[2-(bromomethyl)-4-fluorophenoxy]-3,5-dichlorobenzene is Fc1ccc(Oc2cc(Cl)cc(Cl)c2)c(CBr)c1.
What is the InChIKey of 1-[2-(bromomethyl)-4-fluorophenoxy]-3,5-dichlorobenzene?
The InChIKey is HJQNIHWHXDBCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrCl2FO/c14-7-8-3-11(17)1-2-13(8)18-12-5-9(15)4-10(16)6-12/h1-6H,7H2.
What are the key properties of 1-[2-(bromomethyl)-4-fluorophenoxy]-3,5-dichlorobenzene?
1-[2-(bromomethyl)-4-fluorophenoxy]-3,5-dichlorobenzene has a molecular weight of 350.01 g/mol, XLogP of 5.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(bromomethyl)-4-fluorophenoxy]-3,5-dichlorobenzene is sourced from PubChem (CID 107087809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).