2-bromo-1-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-3-fluorobenzene

C14H10BrClF2O — CID 112613624

IUPAC2-bromo-1-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-3-fluorobenzene
SMILESFc1cccc(COc2c(F)cccc2CCl)c1Br
InChIInChI=1S/C14H10BrClF2O/c15-13-10(4-2-5-11(13)17)8-19-14-9(7-16)3-1-6-12(14)18/h1-6H,7-8H2
InChIKeyUTASGDCHLHQVLV-UHFFFAOYSA-N
MW347.59 g/mol
LogP5.05
Rot. Bonds4

About 2-bromo-1-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-3-fluorobenzene

2-bromo-1-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-3-fluorobenzene (PubChem CID 112613624) has the molecular formula C14H10BrClF2O and a molecular weight of 347.59 g/mol. Its IUPAC name is 2-bromo-1-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-3-fluorobenzene.

Molecular Properties

Compound Name2-bromo-1-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-3-fluorobenzene
PubChem CID112613624
Molecular FormulaC14H10BrClF2O
Molecular Weight347.59 g/mol
Exact Mass345.96
IUPAC Name2-bromo-1-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-3-fluorobenzene
SMILESFc1cccc(COc2c(F)cccc2CCl)c1Br
InChIInChI=1S/C14H10BrClF2O/c15-13-10(4-2-5-11(13)17)8-19-14-9(7-16)3-1-6-12(14)18/h1-6H,7-8H2
InChIKeyUTASGDCHLHQVLV-UHFFFAOYSA-N
XLogP5.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.59
LogP ≤ 55.05
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-(chloromethyl)-6-methylphenoxy]methyl]-3-fluorobenzene
CID 112613290
1-(chloromethyl)-2-[(4-ethylphenyl)methoxy]-3-fluorobenzene
CID 112613649
1-bromo-2-[(2-chloro-3-fluorophenyl)methoxy]-3-(chloromethyl)benzene
CID 112652534
1-chloro-4-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-2-fluorobenzene
CID 107882644
2-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-3-methylpyridine
CID 112650732
1-(chloromethyl)-2-(3,3-dimethylbutoxy)-3-fluorobenzene
CID 112613586
1-(chloromethyl)-3-fluoro-2-nonoxybenzene
CID 112613670
1-(chloromethyl)-3-fluoro-2-[2-(trifluoromethoxy)ethoxy]benzene
CID 112613725
1-(chloromethyl)-3-fluoro-2-octoxybenzene
CID 112613575
1,3-dibromo-2-[(2-chloro-3-fluorophenyl)methoxy]-5-(chloromethyl)benzene
CID 107745489
1-chloro-2-[(5-chloro-2-fluorophenyl)methoxy]-3-(chloromethyl)benzene
CID 103047074
5-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-1-propan-2-yl-1,2,4-triazole
CID 112613661

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-3-fluorobenzene?
The IUPAC name of 2-bromo-1-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-3-fluorobenzene (CID 112613624) is 2-bromo-1-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-3-fluorobenzene.
What is the SMILES notation for 2-bromo-1-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-3-fluorobenzene?
The canonical SMILES for 2-bromo-1-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-3-fluorobenzene is Fc1cccc(COc2c(F)cccc2CCl)c1Br.
What is the InChIKey of 2-bromo-1-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-3-fluorobenzene?
The InChIKey is UTASGDCHLHQVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClF2O/c15-13-10(4-2-5-11(13)17)8-19-14-9(7-16)3-1-6-12(14)18/h1-6H,7-8H2.
What are the key properties of 2-bromo-1-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-3-fluorobenzene?
2-bromo-1-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-3-fluorobenzene has a molecular weight of 347.59 g/mol, XLogP of 5.05, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-3-fluorobenzene is sourced from PubChem (CID 112613624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).