N-(7-azaspiro[3.5]nonan-3-yl)-2,2,2-trifluoroacetamide;2,2,2-trifluoroacetic acid

C12H16F6N2O3 — CID 154998664

IUPACN-(7-azaspiro[3.5]nonan-3-yl)-2,2,2-trifluoroacetamide;2,2,2-trifluoroacetic acid
SMILESO=C(NC1CCC12CCNCC2)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C10H15F3N2O.C2HF3O2/c11-10(12,13)8(16)15-7-1-2-9(7)3-5-14-6-4-9;3-2(4,5)1(6)7/h7,14H,1-6H2,(H,15,16);(H,6,7)
InChIKeyKBWYJOMYTKBERA-UHFFFAOYSA-N
MW350.26 g/mol
LogP1.83
Rot. Bonds1

About N-(7-azaspiro[3.5]nonan-3-yl)-2,2,2-trifluoroacetamide;2,2,2-trifluoroacetic acid

N-(7-azaspiro[3.5]nonan-3-yl)-2,2,2-trifluoroacetamide;2,2,2-trifluoroacetic acid (PubChem CID 154998664) has the molecular formula C12H16F6N2O3 and a molecular weight of 350.26 g/mol. Its IUPAC name is N-(7-azaspiro[3.5]nonan-3-yl)-2,2,2-trifluoroacetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-(7-azaspiro[3.5]nonan-3-yl)-2,2,2-trifluoroacetamide;2,2,2-trifluoroacetic acid
PubChem CID154998664
Molecular FormulaC12H16F6N2O3
Molecular Weight350.26 g/mol
Exact Mass350.11
IUPAC NameN-(7-azaspiro[3.5]nonan-3-yl)-2,2,2-trifluoroacetamide;2,2,2-trifluoroacetic acid
SMILESO=C(NC1CCC12CCNCC2)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C10H15F3N2O.C2HF3O2/c11-10(12,13)8(16)15-7-1-2-9(7)3-5-14-6-4-9;3-2(4,5)1(6)7/h7,14H,1-6H2,(H,15,16);(H,6,7)
InChIKeyKBWYJOMYTKBERA-UHFFFAOYSA-N
XLogP1.83
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(7-azaspiro[3.5]nonan-3-yl)-2,2,2-trifluoroacetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-(7-azaspiro[3.5]nonan-3-yl)-2,2,2-trifluoroacetamide;2,2,2-trifluoroacetic acid (CID 154998664) is N-(7-azaspiro[3.5]nonan-3-yl)-2,2,2-trifluoroacetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-(7-azaspiro[3.5]nonan-3-yl)-2,2,2-trifluoroacetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-(7-azaspiro[3.5]nonan-3-yl)-2,2,2-trifluoroacetamide;2,2,2-trifluoroacetic acid is O=C(NC1CCC12CCNCC2)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of N-(7-azaspiro[3.5]nonan-3-yl)-2,2,2-trifluoroacetamide;2,2,2-trifluoroacetic acid?
The InChIKey is KBWYJOMYTKBERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O.C2HF3O2/c11-10(12,13)8(16)15-7-1-2-9(7)3-5-14-6-4-9;3-2(4,5)1(6)7/h7,14H,1-6H2,(H,15,16);(H,6,7).
What are the key properties of N-(7-azaspiro[3.5]nonan-3-yl)-2,2,2-trifluoroacetamide;2,2,2-trifluoroacetic acid?
N-(7-azaspiro[3.5]nonan-3-yl)-2,2,2-trifluoroacetamide;2,2,2-trifluoroacetic acid has a molecular weight of 350.26 g/mol, XLogP of 1.83, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-azaspiro[3.5]nonan-3-yl)-2,2,2-trifluoroacetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 154998664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).