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

C10H6F4N2O — CID 154019849

IUPAC2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazole
SMILESFc1ccc(Cc2nnco2)cc1C(F)(F)F
InChIInChI=1S/C10H6F4N2O/c11-8-2-1-6(3-7(8)10(12,13)14)4-9-16-15-5-17-9/h1-3,5H,4H2
InChIKeyCSYLUOGHFGMFEH-UHFFFAOYSA-N
MW246.16 g/mol
LogP2.82
Rot. Bonds2

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

2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazole (PubChem CID 154019849) has the molecular formula C10H6F4N2O and a molecular weight of 246.16 g/mol. Its IUPAC name is 2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazole
PubChem CID154019849
Molecular FormulaC10H6F4N2O
Molecular Weight246.16 g/mol
Exact Mass246.04
IUPAC Name2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazole
SMILESFc1ccc(Cc2nnco2)cc1C(F)(F)F
InChIInChI=1S/C10H6F4N2O/c11-8-2-1-6(3-7(8)10(12,13)14)4-9-16-15-5-17-9/h1-3,5H,4H2
InChIKeyCSYLUOGHFGMFEH-UHFFFAOYSA-N
XLogP2.82
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.16
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazole (CID 154019849) is 2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazole is Fc1ccc(Cc2nnco2)cc1C(F)(F)F.
What is the InChIKey of 2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazole?
The InChIKey is CSYLUOGHFGMFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F4N2O/c11-8-2-1-6(3-7(8)10(12,13)14)4-9-16-15-5-17-9/h1-3,5H,4H2.
What are the key properties of 2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazole?
2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazole has a molecular weight of 246.16 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 154019849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).