1-oxa-8-azaspiro[4.5]decan-3-yl 2,2,2-trifluoroacetate

C10H14F3NO3 — CID 156748276

IUPAC1-oxa-8-azaspiro[4.5]decan-3-yl 2,2,2-trifluoroacetate
SMILESO=C(OC1COC2(CCNCC2)C1)C(F)(F)F
InChIInChI=1S/C10H14F3NO3/c11-10(12,13)8(15)17-7-5-9(16-6-7)1-3-14-4-2-9/h7,14H,1-6H2
InChIKeyFDHCAKHVJWHUCB-UHFFFAOYSA-N
MW253.22 g/mol
LogP1.00
Rot. Bonds1

About 1-oxa-8-azaspiro[4.5]decan-3-yl 2,2,2-trifluoroacetate

1-oxa-8-azaspiro[4.5]decan-3-yl 2,2,2-trifluoroacetate (PubChem CID 156748276) has the molecular formula C10H14F3NO3 and a molecular weight of 253.22 g/mol. Its IUPAC name is 1-oxa-8-azaspiro[4.5]decan-3-yl 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name1-oxa-8-azaspiro[4.5]decan-3-yl 2,2,2-trifluoroacetate
PubChem CID156748276
Molecular FormulaC10H14F3NO3
Molecular Weight253.22 g/mol
Exact Mass253.09
IUPAC Name1-oxa-8-azaspiro[4.5]decan-3-yl 2,2,2-trifluoroacetate
SMILESO=C(OC1COC2(CCNCC2)C1)C(F)(F)F
InChIInChI=1S/C10H14F3NO3/c11-10(12,13)8(15)17-7-5-9(16-6-7)1-3-14-4-2-9/h7,14H,1-6H2
InChIKeyFDHCAKHVJWHUCB-UHFFFAOYSA-N
XLogP1.00
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.22
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-oxa-8-azaspiro[4.5]decan-3-yl 2,2,2-trifluoroacetate?
The IUPAC name of 1-oxa-8-azaspiro[4.5]decan-3-yl 2,2,2-trifluoroacetate (CID 156748276) is 1-oxa-8-azaspiro[4.5]decan-3-yl 2,2,2-trifluoroacetate.
What is the SMILES notation for 1-oxa-8-azaspiro[4.5]decan-3-yl 2,2,2-trifluoroacetate?
The canonical SMILES for 1-oxa-8-azaspiro[4.5]decan-3-yl 2,2,2-trifluoroacetate is O=C(OC1COC2(CCNCC2)C1)C(F)(F)F.
What is the InChIKey of 1-oxa-8-azaspiro[4.5]decan-3-yl 2,2,2-trifluoroacetate?
The InChIKey is FDHCAKHVJWHUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO3/c11-10(12,13)8(15)17-7-5-9(16-6-7)1-3-14-4-2-9/h7,14H,1-6H2.
What are the key properties of 1-oxa-8-azaspiro[4.5]decan-3-yl 2,2,2-trifluoroacetate?
1-oxa-8-azaspiro[4.5]decan-3-yl 2,2,2-trifluoroacetate has a molecular weight of 253.22 g/mol, XLogP of 1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxa-8-azaspiro[4.5]decan-3-yl 2,2,2-trifluoroacetate is sourced from PubChem (CID 156748276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).