1,1,1-trifluoro-2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine

C10H14F3N3O2 — CID 79799216

IUPAC1,1,1-trifluoro-2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
SMILESCC(N)(c1nc(CC2CCCO2)no1)C(F)(F)F
InChIInChI=1S/C10H14F3N3O2/c1-9(14,10(11,12)13)8-15-7(16-18-8)5-6-3-2-4-17-6/h6H,2-5,14H2,1H3
InChIKeySWUDLZHXSSCURR-UHFFFAOYSA-N
MW265.23 g/mol
LogP1.53
Rot. Bonds3

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

1,1,1-trifluoro-2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine (PubChem CID 79799216) has the molecular formula C10H14F3N3O2 and a molecular weight of 265.23 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
PubChem CID79799216
Molecular FormulaC10H14F3N3O2
Molecular Weight265.23 g/mol
Exact Mass265.10
IUPAC Name1,1,1-trifluoro-2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
SMILESCC(N)(c1nc(CC2CCCO2)no1)C(F)(F)F
InChIInChI=1S/C10H14F3N3O2/c1-9(14,10(11,12)13)8-15-7(16-18-8)5-6-3-2-4-17-6/h6H,2-5,14H2,1H3
InChIKeySWUDLZHXSSCURR-UHFFFAOYSA-N
XLogP1.53
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The IUPAC name of 1,1,1-trifluoro-2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine (CID 79799216) is 1,1,1-trifluoro-2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine.
What is the SMILES notation for 1,1,1-trifluoro-2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The canonical SMILES for 1,1,1-trifluoro-2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine is CC(N)(c1nc(CC2CCCO2)no1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The InChIKey is SWUDLZHXSSCURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2/c1-9(14,10(11,12)13)8-15-7(16-18-8)5-6-3-2-4-17-6/h6H,2-5,14H2,1H3.
What are the key properties of 1,1,1-trifluoro-2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
1,1,1-trifluoro-2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine has a molecular weight of 265.23 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine is sourced from PubChem (CID 79799216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).