4-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine

C8H7F4N5O3 — CID 103472979

IUPAC4-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine
SMILESNc1nonc1-c1nc(COCC(F)(F)C(F)F)no1
InChIInChI=1S/C8H7F4N5O3/c9-7(10)8(11,12)2-18-1-3-14-6(19-15-3)4-5(13)17-20-16-4/h7H,1-2H2,(H2,13,17)
InChIKeyDXXNYKNRWBZRLW-UHFFFAOYSA-N
MW297.17 g/mol
LogP1.12
Rot. Bonds6

About 4-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine

4-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine (PubChem CID 103472979) has the molecular formula C8H7F4N5O3 and a molecular weight of 297.17 g/mol. Its IUPAC name is 4-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine
PubChem CID103472979
Molecular FormulaC8H7F4N5O3
Molecular Weight297.17 g/mol
Exact Mass297.05
IUPAC Name4-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine
SMILESNc1nonc1-c1nc(COCC(F)(F)C(F)F)no1
InChIInChI=1S/C8H7F4N5O3/c9-7(10)8(11,12)2-18-1-3-14-6(19-15-3)4-5(13)17-20-16-4/h7H,1-2H2,(H2,13,17)
InChIKeyDXXNYKNRWBZRLW-UHFFFAOYSA-N
XLogP1.12
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.17
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine (CID 103472979) is 4-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine is Nc1nonc1-c1nc(COCC(F)(F)C(F)F)no1.
What is the InChIKey of 4-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine?
The InChIKey is DXXNYKNRWBZRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F4N5O3/c9-7(10)8(11,12)2-18-1-3-14-6(19-15-3)4-5(13)17-20-16-4/h7H,1-2H2,(H2,13,17).
What are the key properties of 4-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine?
4-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine has a molecular weight of 297.17 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 103472979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).