4-[2-(trifluoromethoxy)phenyl]-1,2,5-oxadiazol-3-amine

C9H6F3N3O2 — CID 121429670

IUPAC4-[2-(trifluoromethoxy)phenyl]-1,2,5-oxadiazol-3-amine
SMILESNc1nonc1-c1ccccc1OC(F)(F)F
InChIInChI=1S/C9H6F3N3O2/c10-9(11,12)16-6-4-2-1-3-5(6)7-8(13)15-17-14-7/h1-4H,(H2,13,15)
InChIKeyYCLPRJUVYKHZCT-UHFFFAOYSA-N
MW245.16 g/mol
LogP2.22
Rot. Bonds2

About 4-[2-(trifluoromethoxy)phenyl]-1,2,5-oxadiazol-3-amine

4-[2-(trifluoromethoxy)phenyl]-1,2,5-oxadiazol-3-amine (PubChem CID 121429670) has the molecular formula C9H6F3N3O2 and a molecular weight of 245.16 g/mol. Its IUPAC name is 4-[2-(trifluoromethoxy)phenyl]-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-[2-(trifluoromethoxy)phenyl]-1,2,5-oxadiazol-3-amine
PubChem CID121429670
Molecular FormulaC9H6F3N3O2
Molecular Weight245.16 g/mol
Exact Mass245.04
IUPAC Name4-[2-(trifluoromethoxy)phenyl]-1,2,5-oxadiazol-3-amine
SMILESNc1nonc1-c1ccccc1OC(F)(F)F
InChIInChI=1S/C9H6F3N3O2/c10-9(11,12)16-6-4-2-1-3-5(6)7-8(13)15-17-14-7/h1-4H,(H2,13,15)
InChIKeyYCLPRJUVYKHZCT-UHFFFAOYSA-N
XLogP2.22
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.16
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(trifluoromethoxy)phenyl]-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-[2-(trifluoromethoxy)phenyl]-1,2,5-oxadiazol-3-amine (CID 121429670) is 4-[2-(trifluoromethoxy)phenyl]-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-[2-(trifluoromethoxy)phenyl]-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-[2-(trifluoromethoxy)phenyl]-1,2,5-oxadiazol-3-amine is Nc1nonc1-c1ccccc1OC(F)(F)F.
What is the InChIKey of 4-[2-(trifluoromethoxy)phenyl]-1,2,5-oxadiazol-3-amine?
The InChIKey is YCLPRJUVYKHZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3N3O2/c10-9(11,12)16-6-4-2-1-3-5(6)7-8(13)15-17-14-7/h1-4H,(H2,13,15).
What are the key properties of 4-[2-(trifluoromethoxy)phenyl]-1,2,5-oxadiazol-3-amine?
4-[2-(trifluoromethoxy)phenyl]-1,2,5-oxadiazol-3-amine has a molecular weight of 245.16 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(trifluoromethoxy)phenyl]-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 121429670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).