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

C10H13F4N3O3 — CID 103472952

IUPAC3-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
SMILESNC1(c2nc(COCC(F)(F)C(F)F)no2)CCOC1
InChIInChI=1S/C10H13F4N3O3/c11-7(12)10(13,14)5-19-3-6-16-8(20-17-6)9(15)1-2-18-4-9/h7H,1-5,15H2
InChIKeyQTIWELDPLIMTDL-UHFFFAOYSA-N
MW299.22 g/mol
LogP1.06
Rot. Bonds6

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

3-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine (PubChem CID 103472952) has the molecular formula C10H13F4N3O3 and a molecular weight of 299.22 g/mol. Its IUPAC name is 3-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine.

Molecular Properties

Compound Name3-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
PubChem CID103472952
Molecular FormulaC10H13F4N3O3
Molecular Weight299.22 g/mol
Exact Mass299.09
IUPAC Name3-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
SMILESNC1(c2nc(COCC(F)(F)C(F)F)no2)CCOC1
InChIInChI=1S/C10H13F4N3O3/c11-7(12)10(13,14)5-19-3-6-16-8(20-17-6)9(15)1-2-18-4-9/h7H,1-5,15H2
InChIKeyQTIWELDPLIMTDL-UHFFFAOYSA-N
XLogP1.06
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.22
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 3-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The IUPAC name of 3-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine (CID 103472952) is 3-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine.
What is the SMILES notation for 3-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The canonical SMILES for 3-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine is NC1(c2nc(COCC(F)(F)C(F)F)no2)CCOC1.
What is the InChIKey of 3-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The InChIKey is QTIWELDPLIMTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F4N3O3/c11-7(12)10(13,14)5-19-3-6-16-8(20-17-6)9(15)1-2-18-4-9/h7H,1-5,15H2.
What are the key properties of 3-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
3-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine has a molecular weight of 299.22 g/mol, XLogP of 1.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine is sourced from PubChem (CID 103472952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).