3,3-difluoro-1-oxaspiro[3.5]nonan-7-amine;2,2,2-trifluoroacetic acid

C10H14F5NO3 — CID 175726820

IUPAC3,3-difluoro-1-oxaspiro[3.5]nonan-7-amine;2,2,2-trifluoroacetic acid
SMILESNC1CCC2(CC1)OCC2(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C8H13F2NO.C2HF3O2/c9-8(10)5-12-7(8)3-1-6(11)2-4-7;3-2(4,5)1(6)7/h6H,1-5,11H2;(H,6,7)
InChIKeyOZDOQIJNCGZJSW-UHFFFAOYSA-N
MW291.22 g/mol
LogP1.93
Rot. Bonds

About 3,3-difluoro-1-oxaspiro[3.5]nonan-7-amine;2,2,2-trifluoroacetic acid

3,3-difluoro-1-oxaspiro[3.5]nonan-7-amine;2,2,2-trifluoroacetic acid (PubChem CID 175726820) has the molecular formula C10H14F5NO3 and a molecular weight of 291.22 g/mol. Its IUPAC name is 3,3-difluoro-1-oxaspiro[3.5]nonan-7-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3,3-difluoro-1-oxaspiro[3.5]nonan-7-amine;2,2,2-trifluoroacetic acid
PubChem CID175726820
Molecular FormulaC10H14F5NO3
Molecular Weight291.22 g/mol
Exact Mass291.09
IUPAC Name3,3-difluoro-1-oxaspiro[3.5]nonan-7-amine;2,2,2-trifluoroacetic acid
SMILESNC1CCC2(CC1)OCC2(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C8H13F2NO.C2HF3O2/c9-8(10)5-12-7(8)3-1-6(11)2-4-7;3-2(4,5)1(6)7/h6H,1-5,11H2;(H,6,7)
InChIKeyOZDOQIJNCGZJSW-UHFFFAOYSA-N
XLogP1.93
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.22
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3,3-difluoro-1-oxaspiro[3.5]nonan-7-amine;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-oxaspiro[3.5]nonan-7-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of 3,3-difluoro-1-oxaspiro[3.5]nonan-7-amine;2,2,2-trifluoroacetic acid (CID 175726820) is 3,3-difluoro-1-oxaspiro[3.5]nonan-7-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3,3-difluoro-1-oxaspiro[3.5]nonan-7-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3,3-difluoro-1-oxaspiro[3.5]nonan-7-amine;2,2,2-trifluoroacetic acid is NC1CCC2(CC1)OCC2(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 3,3-difluoro-1-oxaspiro[3.5]nonan-7-amine;2,2,2-trifluoroacetic acid?
The InChIKey is OZDOQIJNCGZJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO.C2HF3O2/c9-8(10)5-12-7(8)3-1-6(11)2-4-7;3-2(4,5)1(6)7/h6H,1-5,11H2;(H,6,7).
What are the key properties of 3,3-difluoro-1-oxaspiro[3.5]nonan-7-amine;2,2,2-trifluoroacetic acid?
3,3-difluoro-1-oxaspiro[3.5]nonan-7-amine;2,2,2-trifluoroacetic acid has a molecular weight of 291.22 g/mol, XLogP of 1.93, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-oxaspiro[3.5]nonan-7-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175726820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).