[7-(2,2-difluoroethyl)-2,7-diazaspiro[3.5]nonan-3-yl] 2,2,2-trifluoroacetate

C11H15F5N2O2 — CID 140853686

IUPAC[7-(2,2-difluoroethyl)-2,7-diazaspiro[3.5]nonan-3-yl] 2,2,2-trifluoroacetate
SMILESO=C(OC1NCC12CCN(CC(F)F)CC2)C(F)(F)F
InChIInChI=1S/C11H15F5N2O2/c12-7(13)5-18-3-1-10(2-4-18)6-17-8(10)20-9(19)11(14,15)16/h7-8,17H,1-6H2
InChIKeyFANBVPLZYFBJKT-UHFFFAOYSA-N
MW302.24 g/mol
LogP1.37
Rot. Bonds3

About [7-(2,2-difluoroethyl)-2,7-diazaspiro[3.5]nonan-3-yl] 2,2,2-trifluoroacetate

[7-(2,2-difluoroethyl)-2,7-diazaspiro[3.5]nonan-3-yl] 2,2,2-trifluoroacetate (PubChem CID 140853686) has the molecular formula C11H15F5N2O2 and a molecular weight of 302.24 g/mol. Its IUPAC name is [7-(2,2-difluoroethyl)-2,7-diazaspiro[3.5]nonan-3-yl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[7-(2,2-difluoroethyl)-2,7-diazaspiro[3.5]nonan-3-yl] 2,2,2-trifluoroacetate
PubChem CID140853686
Molecular FormulaC11H15F5N2O2
Molecular Weight302.24 g/mol
Exact Mass302.11
IUPAC Name[7-(2,2-difluoroethyl)-2,7-diazaspiro[3.5]nonan-3-yl] 2,2,2-trifluoroacetate
SMILESO=C(OC1NCC12CCN(CC(F)F)CC2)C(F)(F)F
InChIInChI=1S/C11H15F5N2O2/c12-7(13)5-18-3-1-10(2-4-18)6-17-8(10)20-9(19)11(14,15)16/h7-8,17H,1-6H2
InChIKeyFANBVPLZYFBJKT-UHFFFAOYSA-N
XLogP1.37
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.24
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [7-(2,2-difluoroethyl)-2,7-diazaspiro[3.5]nonan-3-yl] 2,2,2-trifluoroacetate?
The IUPAC name of [7-(2,2-difluoroethyl)-2,7-diazaspiro[3.5]nonan-3-yl] 2,2,2-trifluoroacetate (CID 140853686) is [7-(2,2-difluoroethyl)-2,7-diazaspiro[3.5]nonan-3-yl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [7-(2,2-difluoroethyl)-2,7-diazaspiro[3.5]nonan-3-yl] 2,2,2-trifluoroacetate?
The canonical SMILES for [7-(2,2-difluoroethyl)-2,7-diazaspiro[3.5]nonan-3-yl] 2,2,2-trifluoroacetate is O=C(OC1NCC12CCN(CC(F)F)CC2)C(F)(F)F.
What is the InChIKey of [7-(2,2-difluoroethyl)-2,7-diazaspiro[3.5]nonan-3-yl] 2,2,2-trifluoroacetate?
The InChIKey is FANBVPLZYFBJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F5N2O2/c12-7(13)5-18-3-1-10(2-4-18)6-17-8(10)20-9(19)11(14,15)16/h7-8,17H,1-6H2.
What are the key properties of [7-(2,2-difluoroethyl)-2,7-diazaspiro[3.5]nonan-3-yl] 2,2,2-trifluoroacetate?
[7-(2,2-difluoroethyl)-2,7-diazaspiro[3.5]nonan-3-yl] 2,2,2-trifluoroacetate has a molecular weight of 302.24 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(2,2-difluoroethyl)-2,7-diazaspiro[3.5]nonan-3-yl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 140853686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).