2-[(3-bromo-4-fluorophenoxy)methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole

C10H5BrF4N2O2 — CID 163255292

IUPAC2-[(3-bromo-4-fluorophenoxy)methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole
SMILESFc1ccc(OCc2nnc(C(F)(F)F)o2)cc1Br
InChIInChI=1S/C10H5BrF4N2O2/c11-6-3-5(1-2-7(6)12)18-4-8-16-17-9(19-8)10(13,14)15/h1-3H,4H2
InChIKeyJKWSULUJRZZEOR-UHFFFAOYSA-N
MW341.06 g/mol
LogP3.57
Rot. Bonds3

About 2-[(3-bromo-4-fluorophenoxy)methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole

2-[(3-bromo-4-fluorophenoxy)methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole (PubChem CID 163255292) has the molecular formula C10H5BrF4N2O2 and a molecular weight of 341.06 g/mol. Its IUPAC name is 2-[(3-bromo-4-fluorophenoxy)methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(3-bromo-4-fluorophenoxy)methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole
PubChem CID163255292
Molecular FormulaC10H5BrF4N2O2
Molecular Weight341.06 g/mol
Exact Mass339.95
IUPAC Name2-[(3-bromo-4-fluorophenoxy)methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole
SMILESFc1ccc(OCc2nnc(C(F)(F)F)o2)cc1Br
InChIInChI=1S/C10H5BrF4N2O2/c11-6-3-5(1-2-7(6)12)18-4-8-16-17-9(19-8)10(13,14)15/h1-3H,4H2
InChIKeyJKWSULUJRZZEOR-UHFFFAOYSA-N
XLogP3.57
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.06
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-bromo-4-fluorophenoxy)methyl]-5-ethyl-1,3,4-oxadiazole
CID 83236085
2-bromo-1-fluoro-4-[[4-(trifluoromethoxy)phenyl]methoxy]benzene
CID 83233328
4-[(3-bromo-4-fluorophenoxy)methyl]-1,3-oxazole
CID 163255013
3-[(3-bromo-4-fluorophenoxy)methyl]-4,5-dimethyl-1,2,4-triazole
CID 83236459
2-bromo-4-[(4-bromophenyl)methoxy]-1-fluorobenzene
CID 83231614
5-[(3-bromo-4-fluorophenoxy)methyl]-1,3-thiazole
CID 112640679
(3-bromo-4-fluorophenoxy)methyl-trifluoroboranuide
CID 83234936
2-bromo-4-[(5-bromo-2-fluorophenyl)methoxy]-1-fluorobenzene
CID 83233544
2-bromo-4-[(2-bromophenyl)methoxy]-1-fluorobenzene
CID 83232064
2-[(3-bromo-4-fluorophenoxy)methyl]-5-fluoropyridine
CID 163255149
2-bromo-4-(2-bromo-3,3,3-trifluoropropoxy)-1-fluorobenzene
CID 83232718
5-[(3,4-difluorophenoxy)methyl]-1,3,4-oxadiazole-2-carboxylic acid
CID 39358044

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-4-fluorophenoxy)methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[(3-bromo-4-fluorophenoxy)methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole (CID 163255292) is 2-[(3-bromo-4-fluorophenoxy)methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(3-bromo-4-fluorophenoxy)methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[(3-bromo-4-fluorophenoxy)methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole is Fc1ccc(OCc2nnc(C(F)(F)F)o2)cc1Br.
What is the InChIKey of 2-[(3-bromo-4-fluorophenoxy)methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
The InChIKey is JKWSULUJRZZEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrF4N2O2/c11-6-3-5(1-2-7(6)12)18-4-8-16-17-9(19-8)10(13,14)15/h1-3H,4H2.
What are the key properties of 2-[(3-bromo-4-fluorophenoxy)methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
2-[(3-bromo-4-fluorophenoxy)methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole has a molecular weight of 341.06 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-4-fluorophenoxy)methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 163255292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).