6-oxa-1-azaspiro[3.3]heptan-1-yl 2,2,2-trifluoroacetate

C7H8F3NO3 — CID 169147111

IUPAC6-oxa-1-azaspiro[3.3]heptan-1-yl 2,2,2-trifluoroacetate
SMILESO=C(ON1CCC12COC2)C(F)(F)F
InChIInChI=1S/C7H8F3NO3/c8-7(9,10)5(12)14-11-2-1-6(11)3-13-4-6/h1-4H2
InChIKeyVUKFCYCKFCPDGP-UHFFFAOYSA-N
MW211.14 g/mol
LogP0.48
Rot. Bonds1

About 6-oxa-1-azaspiro[3.3]heptan-1-yl 2,2,2-trifluoroacetate

6-oxa-1-azaspiro[3.3]heptan-1-yl 2,2,2-trifluoroacetate (PubChem CID 169147111) has the molecular formula C7H8F3NO3 and a molecular weight of 211.14 g/mol. Its IUPAC name is 6-oxa-1-azaspiro[3.3]heptan-1-yl 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name6-oxa-1-azaspiro[3.3]heptan-1-yl 2,2,2-trifluoroacetate
PubChem CID169147111
Molecular FormulaC7H8F3NO3
Molecular Weight211.14 g/mol
Exact Mass211.05
IUPAC Name6-oxa-1-azaspiro[3.3]heptan-1-yl 2,2,2-trifluoroacetate
SMILESO=C(ON1CCC12COC2)C(F)(F)F
InChIInChI=1S/C7H8F3NO3/c8-7(9,10)5(12)14-11-2-1-6(11)3-13-4-6/h1-4H2
InChIKeyVUKFCYCKFCPDGP-UHFFFAOYSA-N
XLogP0.48
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.14
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-oxa-1-azaspiro[3.3]heptan-1-yl 2,2,2-trifluoroacetate with MolForge

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

Launch Full Analysis

Related Compounds

[(2S)-2-(methoxymethyl)azetidin-1-yl] 2,2,2-trifluoroacetate
CID 68948696
[(2R)-2-(methoxymethyl)azetidin-1-yl] 2,2,2-trifluoroacetate
CID 68949600
[2-(Methoxymethyl)azetidin-1-yl] 2,2,2-trifluoroacetate
CID 77577890

Frequently Asked Questions

What is the IUPAC name of 6-oxa-1-azaspiro[3.3]heptan-1-yl 2,2,2-trifluoroacetate?
The IUPAC name of 6-oxa-1-azaspiro[3.3]heptan-1-yl 2,2,2-trifluoroacetate (CID 169147111) is 6-oxa-1-azaspiro[3.3]heptan-1-yl 2,2,2-trifluoroacetate.
What is the SMILES notation for 6-oxa-1-azaspiro[3.3]heptan-1-yl 2,2,2-trifluoroacetate?
The canonical SMILES for 6-oxa-1-azaspiro[3.3]heptan-1-yl 2,2,2-trifluoroacetate is O=C(ON1CCC12COC2)C(F)(F)F.
What is the InChIKey of 6-oxa-1-azaspiro[3.3]heptan-1-yl 2,2,2-trifluoroacetate?
The InChIKey is VUKFCYCKFCPDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NO3/c8-7(9,10)5(12)14-11-2-1-6(11)3-13-4-6/h1-4H2.
What are the key properties of 6-oxa-1-azaspiro[3.3]heptan-1-yl 2,2,2-trifluoroacetate?
6-oxa-1-azaspiro[3.3]heptan-1-yl 2,2,2-trifluoroacetate has a molecular weight of 211.14 g/mol, XLogP of 0.48, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxa-1-azaspiro[3.3]heptan-1-yl 2,2,2-trifluoroacetate is sourced from PubChem (CID 169147111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).