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

C10H7F3N2O — CID 163697697

IUPAC2-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazole
SMILESFC(F)(F)c1ccc(Cc2nnco2)cc1
InChIInChI=1S/C10H7F3N2O/c11-10(12,13)8-3-1-7(2-4-8)5-9-15-14-6-16-9/h1-4,6H,5H2
InChIKeyJYHUTQHRHVKPPM-UHFFFAOYSA-N
MW228.17 g/mol
LogP2.68
Rot. Bonds2

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

2-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazole (PubChem CID 163697697) has the molecular formula C10H7F3N2O and a molecular weight of 228.17 g/mol. Its IUPAC name is 2-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazole
PubChem CID163697697
Molecular FormulaC10H7F3N2O
Molecular Weight228.17 g/mol
Exact Mass228.05
IUPAC Name2-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazole
SMILESFC(F)(F)c1ccc(Cc2nnco2)cc1
InChIInChI=1S/C10H7F3N2O/c11-10(12,13)8-3-1-7(2-4-8)5-9-15-14-6-16-9/h1-4,6H,5H2
InChIKeyJYHUTQHRHVKPPM-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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Related Compounds

3-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62115615
N-methyl-3-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62136889
5-[[4-(trifluoromethyl)phenyl]methyl]-3H-1,3,4-oxadiazole-2-thione
CID 55040822
1-tert-butyl-4-[[4-(trifluoromethyl)phenyl]methyl]benzene
CID 20719271
N-methyl-2-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-4-yl]ethanamine
CID 115084120
1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-4-yl]propan-2-amine
CID 115084121
2-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-4-yl]propan-1-ol
CID 115084078
3-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-4-yl]propanoic acid
CID 115084171
(4-chlorophenyl)-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]methanol
CID 175726291
1-[4-(trifluoromethyl)phenyl]-N,N-bis(trimethylsilyl)methanamine
CID 100995079
[4-ethyl-5-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-3-yl]methanamine
CID 115944151
[4-ethyl-5-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-3-yl]methanol
CID 115396597

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazole (CID 163697697) is 2-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazole is FC(F)(F)c1ccc(Cc2nnco2)cc1.
What is the InChIKey of 2-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazole?
The InChIKey is JYHUTQHRHVKPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O/c11-10(12,13)8-3-1-7(2-4-8)5-9-15-14-6-16-9/h1-4,6H,5H2.
What are the key properties of 2-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazole?
2-[[4-(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-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 163697697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).