1-[2-(bromomethyl)-4-fluorophenoxy]-4-chloro-2-fluorobenzene

C13H8BrClF2O — CID 114267907

IUPAC1-[2-(bromomethyl)-4-fluorophenoxy]-4-chloro-2-fluorobenzene
SMILESFc1ccc(Oc2ccc(Cl)cc2F)c(CBr)c1
InChIInChI=1S/C13H8BrClF2O/c14-7-8-5-10(16)2-4-12(8)18-13-3-1-9(15)6-11(13)17/h1-6H,7H2
InChIKeyUMIASMWCRMBBIG-UHFFFAOYSA-N
MW333.56 g/mol
LogP5.31
Rot. Bonds3

About 1-[2-(bromomethyl)-4-fluorophenoxy]-4-chloro-2-fluorobenzene

1-[2-(bromomethyl)-4-fluorophenoxy]-4-chloro-2-fluorobenzene (PubChem CID 114267907) has the molecular formula C13H8BrClF2O and a molecular weight of 333.56 g/mol. Its IUPAC name is 1-[2-(bromomethyl)-4-fluorophenoxy]-4-chloro-2-fluorobenzene.

Molecular Properties

Compound Name1-[2-(bromomethyl)-4-fluorophenoxy]-4-chloro-2-fluorobenzene
PubChem CID114267907
Molecular FormulaC13H8BrClF2O
Molecular Weight333.56 g/mol
Exact Mass331.94
IUPAC Name1-[2-(bromomethyl)-4-fluorophenoxy]-4-chloro-2-fluorobenzene
SMILESFc1ccc(Oc2ccc(Cl)cc2F)c(CBr)c1
InChIInChI=1S/C13H8BrClF2O/c14-7-8-5-10(16)2-4-12(8)18-13-3-1-9(15)6-11(13)17/h1-6H,7H2
InChIKeyUMIASMWCRMBBIG-UHFFFAOYSA-N
XLogP5.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.56
LogP ≤ 55.31
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]-3,5-dichlorobenzene
CID 107087809
4-chloro-1-(4-chloro-2-fluorophenoxy)-2-fluorobenzene
CID 142784638
2-(bromomethyl)-1-[(5-chloro-2-fluorophenyl)methoxy]-4-fluorobenzene
CID 107698978
1-[2-(bromomethyl)phenoxy]-2-chloro-4-fluorobenzene
CID 107087875
1-[5-bromo-2-(bromomethyl)phenoxy]-2,4-difluorobenzene
CID 107086532
2-(2-bromoethyl)-1-[2-(2-bromoethyl)-4-fluorophenoxy]-4-fluorobenzene
CID 67404843
2-bromo-1-[4-bromo-2-(bromomethyl)phenoxy]-4-fluorobenzene
CID 114061645
1-[4-bromo-2-(chloromethyl)phenoxy]-2,4-difluorobenzene
CID 114061643
1-[[2-(bromomethyl)-4-chlorophenoxy]methyl]-4-chloro-2-fluorobenzene
CID 89437045
1-[2-(bromomethyl)-4-chlorophenoxy]-2,3-dimethylbenzene
CID 107086782
[2-(2-bromo-4-fluorophenoxy)-5-chlorophenyl]methanol
CID 114845999
2-(3-bromopropyl)-1-[2-(3-bromopropyl)-4-fluorophenoxy]-4-fluorobenzene
CID 141129739

Frequently Asked Questions

What is the IUPAC name of 1-[2-(bromomethyl)-4-fluorophenoxy]-4-chloro-2-fluorobenzene?
The IUPAC name of 1-[2-(bromomethyl)-4-fluorophenoxy]-4-chloro-2-fluorobenzene (CID 114267907) is 1-[2-(bromomethyl)-4-fluorophenoxy]-4-chloro-2-fluorobenzene.
What is the SMILES notation for 1-[2-(bromomethyl)-4-fluorophenoxy]-4-chloro-2-fluorobenzene?
The canonical SMILES for 1-[2-(bromomethyl)-4-fluorophenoxy]-4-chloro-2-fluorobenzene is Fc1ccc(Oc2ccc(Cl)cc2F)c(CBr)c1.
What is the InChIKey of 1-[2-(bromomethyl)-4-fluorophenoxy]-4-chloro-2-fluorobenzene?
The InChIKey is UMIASMWCRMBBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClF2O/c14-7-8-5-10(16)2-4-12(8)18-13-3-1-9(15)6-11(13)17/h1-6H,7H2.
What are the key properties of 1-[2-(bromomethyl)-4-fluorophenoxy]-4-chloro-2-fluorobenzene?
1-[2-(bromomethyl)-4-fluorophenoxy]-4-chloro-2-fluorobenzene has a molecular weight of 333.56 g/mol, XLogP of 5.31, 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]-4-chloro-2-fluorobenzene is sourced from PubChem (CID 114267907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).