2-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazole

C10H7F3N2O — CID 66579312

IUPAC2-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazole
SMILESFC(F)(F)c1cccc(Cc2nnco2)c1
InChIInChI=1S/C10H7F3N2O/c11-10(12,13)8-3-1-2-7(4-8)5-9-15-14-6-16-9/h1-4,6H,5H2
InChIKeyBWFDMIMBHXLZNU-UHFFFAOYSA-N
MW228.17 g/mol
LogP2.68
Rot. Bonds2

About 2-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazole

2-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazole (PubChem CID 66579312) has the molecular formula C10H7F3N2O and a molecular weight of 228.17 g/mol. Its IUPAC name is 2-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazole
PubChem CID66579312
Molecular FormulaC10H7F3N2O
Molecular Weight228.17 g/mol
Exact Mass228.05
IUPAC Name2-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazole
SMILESFC(F)(F)c1cccc(Cc2nnco2)c1
InChIInChI=1S/C10H7F3N2O/c11-10(12,13)8-3-1-2-7(4-8)5-9-15-14-6-16-9/h1-4,6H,5H2
InChIKeyBWFDMIMBHXLZNU-UHFFFAOYSA-N
XLogP2.68
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.17
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazole (CID 66579312) is 2-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazole is FC(F)(F)c1cccc(Cc2nnco2)c1.
What is the InChIKey of 2-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazole?
The InChIKey is BWFDMIMBHXLZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O/c11-10(12,13)8-3-1-2-7(4-8)5-9-15-14-6-16-9/h1-4,6H,5H2.
What are the key properties of 2-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazole?
2-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazole has a molecular weight of 228.17 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 66579312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).