1-oxa-8-azaspiro[4.5]decane;2,2,2-trifluoroacetic acid

C10H16F3NO3 — CID 22507707

IUPAC1-oxa-8-azaspiro[4.5]decane;2,2,2-trifluoroacetic acid
SMILESC1COC2(C1)CCNCC2.O=C(O)C(F)(F)F
InChIInChI=1S/C8H15NO.C2HF3O2/c1-2-8(10-7-1)3-5-9-6-4-8;3-2(4,5)1(6)7/h9H,1-7H2;(H,6,7)
InChIKeyOSSNEWDHFCVQNP-UHFFFAOYSA-N
MW255.24 g/mol
LogP1.55
Rot. Bonds

About 1-oxa-8-azaspiro[4.5]decane;2,2,2-trifluoroacetic acid

1-oxa-8-azaspiro[4.5]decane;2,2,2-trifluoroacetic acid (PubChem CID 22507707) has the molecular formula C10H16F3NO3 and a molecular weight of 255.24 g/mol. Its IUPAC name is 1-oxa-8-azaspiro[4.5]decane;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-oxa-8-azaspiro[4.5]decane;2,2,2-trifluoroacetic acid
PubChem CID22507707
Molecular FormulaC10H16F3NO3
Molecular Weight255.24 g/mol
Exact Mass255.11
IUPAC Name1-oxa-8-azaspiro[4.5]decane;2,2,2-trifluoroacetic acid
SMILESC1COC2(C1)CCNCC2.O=C(O)C(F)(F)F
InChIInChI=1S/C8H15NO.C2HF3O2/c1-2-8(10-7-1)3-5-9-6-4-8;3-2(4,5)1(6)7/h9H,1-7H2;(H,6,7)
InChIKeyOSSNEWDHFCVQNP-UHFFFAOYSA-N
XLogP1.55
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-oxa-8-azaspiro[4.5]decane;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-oxa-8-azaspiro[4.5]decane;2,2,2-trifluoroacetic acid (CID 22507707) is 1-oxa-8-azaspiro[4.5]decane;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-oxa-8-azaspiro[4.5]decane;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-oxa-8-azaspiro[4.5]decane;2,2,2-trifluoroacetic acid is C1COC2(C1)CCNCC2.O=C(O)C(F)(F)F.
What is the InChIKey of 1-oxa-8-azaspiro[4.5]decane;2,2,2-trifluoroacetic acid?
The InChIKey is OSSNEWDHFCVQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO.C2HF3O2/c1-2-8(10-7-1)3-5-9-6-4-8;3-2(4,5)1(6)7/h9H,1-7H2;(H,6,7).
What are the key properties of 1-oxa-8-azaspiro[4.5]decane;2,2,2-trifluoroacetic acid?
1-oxa-8-azaspiro[4.5]decane;2,2,2-trifluoroacetic acid has a molecular weight of 255.24 g/mol, XLogP of 1.55, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxa-8-azaspiro[4.5]decane;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 22507707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).