2-bromo-4-(chloromethyl)-1-(2,5-difluorophenoxy)benzene

C13H8BrClF2O — CID 114062638

IUPAC2-bromo-4-(chloromethyl)-1-(2,5-difluorophenoxy)benzene
SMILESFc1ccc(F)c(Oc2ccc(CCl)cc2Br)c1
InChIInChI=1S/C13H8BrClF2O/c14-10-5-8(7-15)1-4-12(10)18-13-6-9(16)2-3-11(13)17/h1-6H,7H2
InChIKeyZCQXCLLDGRTXPJ-UHFFFAOYSA-N
MW333.56 g/mol
LogP5.26
Rot. Bonds3

About 2-bromo-4-(chloromethyl)-1-(2,5-difluorophenoxy)benzene

2-bromo-4-(chloromethyl)-1-(2,5-difluorophenoxy)benzene (PubChem CID 114062638) has the molecular formula C13H8BrClF2O and a molecular weight of 333.56 g/mol. Its IUPAC name is 2-bromo-4-(chloromethyl)-1-(2,5-difluorophenoxy)benzene.

Molecular Properties

Compound Name2-bromo-4-(chloromethyl)-1-(2,5-difluorophenoxy)benzene
PubChem CID114062638
Molecular FormulaC13H8BrClF2O
Molecular Weight333.56 g/mol
Exact Mass331.94
IUPAC Name2-bromo-4-(chloromethyl)-1-(2,5-difluorophenoxy)benzene
SMILESFc1ccc(F)c(Oc2ccc(CCl)cc2Br)c1
InChIInChI=1S/C13H8BrClF2O/c14-10-5-8(7-15)1-4-12(10)18-13-6-9(16)2-3-11(13)17/h1-6H,7H2
InChIKeyZCQXCLLDGRTXPJ-UHFFFAOYSA-N
XLogP5.26
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 ≤ 55.26
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

2-bromo-1-[2-bromo-4-(chloromethyl)phenoxy]-4-fluorobenzene
CID 114062604
2-bromo-1-[(3-bromo-4-fluorophenyl)methoxy]-4-(chloromethyl)benzene
CID 63534718
2,4-dibromo-1-[2-(chloromethyl)-4-fluorophenoxy]benzene
CID 64720458
1-(2-bromo-4-propylphenoxy)-2,4-difluorobenzene
CID 159889013
2-[4-(chloromethyl)-2-fluorophenoxy]-1-fluoro-4-methylbenzene
CID 64856384
2-bromo-4-chloro-1-[4-(chloromethyl)phenoxy]benzene
CID 28947286
1-(2-bromo-4-fluorophenoxy)-3-chloro-2-(chloromethyl)benzene
CID 28946983
2-[4-(2-bromo-4-fluorophenoxy)-3-chlorophenyl]ethanamine
CID 81166401
[3-bromo-4-(2-bromo-4-chlorophenoxy)phenyl]methanol
CID 114062434
1-(5-bromo-2-fluorophenoxy)-4-(chloromethyl)-2-nitrobenzene
CID 114674041
2-bromo-1-[(3-bromo-4-fluorophenyl)methoxy]-4-fluorobenzene
CID 55219072
3-bromo-4-(2,5-difluorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 82799197

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(chloromethyl)-1-(2,5-difluorophenoxy)benzene?
The IUPAC name of 2-bromo-4-(chloromethyl)-1-(2,5-difluorophenoxy)benzene (CID 114062638) is 2-bromo-4-(chloromethyl)-1-(2,5-difluorophenoxy)benzene.
What is the SMILES notation for 2-bromo-4-(chloromethyl)-1-(2,5-difluorophenoxy)benzene?
The canonical SMILES for 2-bromo-4-(chloromethyl)-1-(2,5-difluorophenoxy)benzene is Fc1ccc(F)c(Oc2ccc(CCl)cc2Br)c1.
What is the InChIKey of 2-bromo-4-(chloromethyl)-1-(2,5-difluorophenoxy)benzene?
The InChIKey is ZCQXCLLDGRTXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClF2O/c14-10-5-8(7-15)1-4-12(10)18-13-6-9(16)2-3-11(13)17/h1-6H,7H2.
What are the key properties of 2-bromo-4-(chloromethyl)-1-(2,5-difluorophenoxy)benzene?
2-bromo-4-(chloromethyl)-1-(2,5-difluorophenoxy)benzene has a molecular weight of 333.56 g/mol, XLogP of 5.26, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(chloromethyl)-1-(2,5-difluorophenoxy)benzene is sourced from PubChem (CID 114062638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).