2-[5-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine

C9H11F6N3O2 — CID 102722252

IUPAC2-[5-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCC(C)(N)c1noc(COC(C(F)(F)F)C(F)(F)F)n1
InChIInChI=1S/C9H11F6N3O2/c1-7(2,16)6-17-4(20-18-6)3-19-5(8(10,11)12)9(13,14)15/h5H,3,16H2,1-2H3
InChIKeyGCQFXSCBPLQSIP-UHFFFAOYSA-N
MW307.19 g/mol
LogP2.27
Rot. Bonds4

About 2-[5-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine

2-[5-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine (PubChem CID 102722252) has the molecular formula C9H11F6N3O2 and a molecular weight of 307.19 g/mol. Its IUPAC name is 2-[5-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine.

Molecular Properties

Compound Name2-[5-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
PubChem CID102722252
Molecular FormulaC9H11F6N3O2
Molecular Weight307.19 g/mol
Exact Mass307.08
IUPAC Name2-[5-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCC(C)(N)c1noc(COC(C(F)(F)F)C(F)(F)F)n1
InChIInChI=1S/C9H11F6N3O2/c1-7(2,16)6-17-4(20-18-6)3-19-5(8(10,11)12)9(13,14)15/h5H,3,16H2,1-2H3
InChIKeyGCQFXSCBPLQSIP-UHFFFAOYSA-N
XLogP2.27
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The IUPAC name of 2-[5-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine (CID 102722252) is 2-[5-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine.
What is the SMILES notation for 2-[5-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The canonical SMILES for 2-[5-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine is CC(C)(N)c1noc(COC(C(F)(F)F)C(F)(F)F)n1.
What is the InChIKey of 2-[5-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The InChIKey is GCQFXSCBPLQSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F6N3O2/c1-7(2,16)6-17-4(20-18-6)3-19-5(8(10,11)12)9(13,14)15/h5H,3,16H2,1-2H3.
What are the key properties of 2-[5-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
2-[5-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine has a molecular weight of 307.19 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine is sourced from PubChem (CID 102722252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).