formic acid;3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole

C10H7F3N2O4 — CID 86711505

IUPACformic acid;3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
SMILESFC(F)(F)Oc1ccc(-c2ncon2)cc1.O=CO
InChIInChI=1S/C9H5F3N2O2.CH2O2/c10-9(11,12)16-7-3-1-6(2-4-7)8-13-5-15-14-8;2-1-3/h1-5H;1H,(H,2,3)
InChIKeyXUGYOBIHFPOEGW-UHFFFAOYSA-N
MW276.17 g/mol
LogP2.34
Rot. Bonds2

About formic acid;3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole

formic acid;3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole (PubChem CID 86711505) has the molecular formula C10H7F3N2O4 and a molecular weight of 276.17 g/mol. Its IUPAC name is formic acid;3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Nameformic acid;3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
PubChem CID86711505
Molecular FormulaC10H7F3N2O4
Molecular Weight276.17 g/mol
Exact Mass276.04
IUPAC Nameformic acid;3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
SMILESFC(F)(F)Oc1ccc(-c2ncon2)cc1.O=CO
InChIInChI=1S/C9H5F3N2O2.CH2O2/c10-9(11,12)16-7-3-1-6(2-4-7)8-13-5-15-14-8;2-1-3/h1-5H;1H,(H,2,3)
InChIKeyXUGYOBIHFPOEGW-UHFFFAOYSA-N
XLogP2.34
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.17
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of formic acid;3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole?
The IUPAC name of formic acid;3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole (CID 86711505) is formic acid;3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for formic acid;3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for formic acid;3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole is FC(F)(F)Oc1ccc(-c2ncon2)cc1.O=CO.
What is the InChIKey of formic acid;3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole?
The InChIKey is XUGYOBIHFPOEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F3N2O2.CH2O2/c10-9(11,12)16-7-3-1-6(2-4-7)8-13-5-15-14-8;2-1-3/h1-5H;1H,(H,2,3).
What are the key properties of formic acid;3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole?
formic acid;3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole has a molecular weight of 276.17 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 86711505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).