7-azaspiro[3.5]nonan-2-ylmethanol;2,2,2-trifluoroacetic acid

C11H18F3NO3 — CID 174175860

IUPAC7-azaspiro[3.5]nonan-2-ylmethanol;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.OCC1CC2(CCNCC2)C1
InChIInChI=1S/C9H17NO.C2HF3O2/c11-7-8-5-9(6-8)1-3-10-4-2-9;3-2(4,5)1(6)7/h8,10-11H,1-7H2;(H,6,7)
InChIKeyWWZLBJRORDMLNB-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.39
Rot. Bonds1

About 7-azaspiro[3.5]nonan-2-ylmethanol;2,2,2-trifluoroacetic acid

7-azaspiro[3.5]nonan-2-ylmethanol;2,2,2-trifluoroacetic acid (PubChem CID 174175860) has the molecular formula C11H18F3NO3 and a molecular weight of 269.26 g/mol. Its IUPAC name is 7-azaspiro[3.5]nonan-2-ylmethanol;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name7-azaspiro[3.5]nonan-2-ylmethanol;2,2,2-trifluoroacetic acid
PubChem CID174175860
Molecular FormulaC11H18F3NO3
Molecular Weight269.26 g/mol
Exact Mass269.12
IUPAC Name7-azaspiro[3.5]nonan-2-ylmethanol;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.OCC1CC2(CCNCC2)C1
InChIInChI=1S/C9H17NO.C2HF3O2/c11-7-8-5-9(6-8)1-3-10-4-2-9;3-2(4,5)1(6)7/h8,10-11H,1-7H2;(H,6,7)
InChIKeyWWZLBJRORDMLNB-UHFFFAOYSA-N
XLogP1.39
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-azaspiro[3.5]nonan-2-ylmethanol;2,2,2-trifluoroacetic acid?
The IUPAC name of 7-azaspiro[3.5]nonan-2-ylmethanol;2,2,2-trifluoroacetic acid (CID 174175860) is 7-azaspiro[3.5]nonan-2-ylmethanol;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 7-azaspiro[3.5]nonan-2-ylmethanol;2,2,2-trifluoroacetic acid?
The canonical SMILES for 7-azaspiro[3.5]nonan-2-ylmethanol;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.OCC1CC2(CCNCC2)C1.
What is the InChIKey of 7-azaspiro[3.5]nonan-2-ylmethanol;2,2,2-trifluoroacetic acid?
The InChIKey is WWZLBJRORDMLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO.C2HF3O2/c11-7-8-5-9(6-8)1-3-10-4-2-9;3-2(4,5)1(6)7/h8,10-11H,1-7H2;(H,6,7).
What are the key properties of 7-azaspiro[3.5]nonan-2-ylmethanol;2,2,2-trifluoroacetic acid?
7-azaspiro[3.5]nonan-2-ylmethanol;2,2,2-trifluoroacetic acid has a molecular weight of 269.26 g/mol, XLogP of 1.39, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-azaspiro[3.5]nonan-2-ylmethanol;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 174175860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).