(2R,6R,11S)-2,11-dimethyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;2,2,2-trifluoroacetic acid

C15H25F3N2O4 — CID 139510258

IUPAC(2R,6R,11S)-2,11-dimethyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;2,2,2-trifluoroacetic acid
SMILESCC(C)N1C[C@]2(CCNC[C@@H]2C)O[C@H](C)C1=O.O=C(O)C(F)(F)F
InChIInChI=1S/C13H24N2O2.C2HF3O2/c1-9(2)15-8-13(17-11(4)12(15)16)5-6-14-7-10(13)3;3-2(4,5)1(6)7/h9-11,14H,5-8H2,1-4H3;(H,6,7)/t10-,11+,13-;/m0./s1
InChIKeyUQOSTJNBFLQQEC-LWEGJDAASA-N
MW354.37 g/mol
LogP1.64
Rot. Bonds1

About (2R,6R,11S)-2,11-dimethyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;2,2,2-trifluoroacetic acid

(2R,6R,11S)-2,11-dimethyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;2,2,2-trifluoroacetic acid (PubChem CID 139510258) has the molecular formula C15H25F3N2O4 and a molecular weight of 354.37 g/mol. Its IUPAC name is (2R,6R,11S)-2,11-dimethyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(2R,6R,11S)-2,11-dimethyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;2,2,2-trifluoroacetic acid
PubChem CID139510258
Molecular FormulaC15H25F3N2O4
Molecular Weight354.37 g/mol
Exact Mass354.18
IUPAC Name(2R,6R,11S)-2,11-dimethyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;2,2,2-trifluoroacetic acid
SMILESCC(C)N1C[C@]2(CCNC[C@@H]2C)O[C@H](C)C1=O.O=C(O)C(F)(F)F
InChIInChI=1S/C13H24N2O2.C2HF3O2/c1-9(2)15-8-13(17-11(4)12(15)16)5-6-14-7-10(13)3;3-2(4,5)1(6)7/h9-11,14H,5-8H2,1-4H3;(H,6,7)/t10-,11+,13-;/m0./s1
InChIKeyUQOSTJNBFLQQEC-LWEGJDAASA-N
XLogP1.64
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R,6R,11S)-2,11-dimethyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;2,2,2-trifluoroacetic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,6R,11S)-2,11-dimethyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;2,2,2-trifluoroacetic acid?
The IUPAC name of (2R,6R,11S)-2,11-dimethyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;2,2,2-trifluoroacetic acid (CID 139510258) is (2R,6R,11S)-2,11-dimethyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (2R,6R,11S)-2,11-dimethyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for (2R,6R,11S)-2,11-dimethyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;2,2,2-trifluoroacetic acid is CC(C)N1C[C@]2(CCNC[C@@H]2C)O[C@H](C)C1=O.O=C(O)C(F)(F)F.
What is the InChIKey of (2R,6R,11S)-2,11-dimethyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;2,2,2-trifluoroacetic acid?
The InChIKey is UQOSTJNBFLQQEC-LWEGJDAASA-N. The full InChI is InChI=1S/C13H24N2O2.C2HF3O2/c1-9(2)15-8-13(17-11(4)12(15)16)5-6-14-7-10(13)3;3-2(4,5)1(6)7/h9-11,14H,5-8H2,1-4H3;(H,6,7)/t10-,11+,13-;/m0./s1.
What are the key properties of (2R,6R,11S)-2,11-dimethyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;2,2,2-trifluoroacetic acid?
(2R,6R,11S)-2,11-dimethyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;2,2,2-trifluoroacetic acid has a molecular weight of 354.37 g/mol, XLogP of 1.64, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R,11S)-2,11-dimethyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 139510258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).