2-cyclopropyl-2,6-diazaspiro[3.3]heptane;2,2,2-trifluoroacetic acid

C10H15F3N2O2 — CID 146272884

IUPAC2-cyclopropyl-2,6-diazaspiro[3.3]heptane;2,2,2-trifluoroacetic acid
SMILESC1CC1N1CC2(CNC2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H14N2.C2HF3O2/c1-2-7(1)10-5-8(6-10)3-9-4-8;3-2(4,5)1(6)7/h7,9H,1-6H2;(H,6,7)
InChIKeyLEKUHGMDIABYFK-UHFFFAOYSA-N
MW252.24 g/mol
LogP0.69
Rot. Bonds1

About 2-cyclopropyl-2,6-diazaspiro[3.3]heptane;2,2,2-trifluoroacetic acid

2-cyclopropyl-2,6-diazaspiro[3.3]heptane;2,2,2-trifluoroacetic acid (PubChem CID 146272884) has the molecular formula C10H15F3N2O2 and a molecular weight of 252.24 g/mol. Its IUPAC name is 2-cyclopropyl-2,6-diazaspiro[3.3]heptane;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2,6-diazaspiro[3.3]heptane;2,2,2-trifluoroacetic acid
PubChem CID146272884
Molecular FormulaC10H15F3N2O2
Molecular Weight252.24 g/mol
Exact Mass252.11
IUPAC Name2-cyclopropyl-2,6-diazaspiro[3.3]heptane;2,2,2-trifluoroacetic acid
SMILESC1CC1N1CC2(CNC2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H14N2.C2HF3O2/c1-2-7(1)10-5-8(6-10)3-9-4-8;3-2(4,5)1(6)7/h7,9H,1-6H2;(H,6,7)
InChIKeyLEKUHGMDIABYFK-UHFFFAOYSA-N
XLogP0.69
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2,6-diazaspiro[3.3]heptane;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-cyclopropyl-2,6-diazaspiro[3.3]heptane;2,2,2-trifluoroacetic acid (CID 146272884) is 2-cyclopropyl-2,6-diazaspiro[3.3]heptane;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-cyclopropyl-2,6-diazaspiro[3.3]heptane;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-cyclopropyl-2,6-diazaspiro[3.3]heptane;2,2,2-trifluoroacetic acid is C1CC1N1CC2(CNC2)C1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-cyclopropyl-2,6-diazaspiro[3.3]heptane;2,2,2-trifluoroacetic acid?
The InChIKey is LEKUHGMDIABYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2.C2HF3O2/c1-2-7(1)10-5-8(6-10)3-9-4-8;3-2(4,5)1(6)7/h7,9H,1-6H2;(H,6,7).
What are the key properties of 2-cyclopropyl-2,6-diazaspiro[3.3]heptane;2,2,2-trifluoroacetic acid?
2-cyclopropyl-2,6-diazaspiro[3.3]heptane;2,2,2-trifluoroacetic acid has a molecular weight of 252.24 g/mol, XLogP of 0.69, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2,6-diazaspiro[3.3]heptane;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 146272884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).