2,2,2-trifluoro-1-[2-(2,5,5-trimethylmorpholine-4-carbonyl)pyrrolidin-1-yl]ethanone

C14H21F3N2O3 — CID 112507511

IUPAC2,2,2-trifluoro-1-[2-(2,5,5-trimethylmorpholine-4-carbonyl)pyrrolidin-1-yl]ethanone
SMILESCC1CN(C(=O)C2CCCN2C(=O)C(F)(F)F)C(C)(C)CO1
InChIInChI=1S/C14H21F3N2O3/c1-9-7-19(13(2,3)8-22-9)11(20)10-5-4-6-18(10)12(21)14(15,16)17/h9-10H,4-8H2,1-3H3
InChIKeyVSGSWHQGJRVSTP-UHFFFAOYSA-N
MW322.33 g/mol
LogP1.57
Rot. Bonds1

About 2,2,2-trifluoro-1-[2-(2,5,5-trimethylmorpholine-4-carbonyl)pyrrolidin-1-yl]ethanone

2,2,2-trifluoro-1-[2-(2,5,5-trimethylmorpholine-4-carbonyl)pyrrolidin-1-yl]ethanone (PubChem CID 112507511) has the molecular formula C14H21F3N2O3 and a molecular weight of 322.33 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[2-(2,5,5-trimethylmorpholine-4-carbonyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[2-(2,5,5-trimethylmorpholine-4-carbonyl)pyrrolidin-1-yl]ethanone
PubChem CID112507511
Molecular FormulaC14H21F3N2O3
Molecular Weight322.33 g/mol
Exact Mass322.15
IUPAC Name2,2,2-trifluoro-1-[2-(2,5,5-trimethylmorpholine-4-carbonyl)pyrrolidin-1-yl]ethanone
SMILESCC1CN(C(=O)C2CCCN2C(=O)C(F)(F)F)C(C)(C)CO1
InChIInChI=1S/C14H21F3N2O3/c1-9-7-19(13(2,3)8-22-9)11(20)10-5-4-6-18(10)12(21)14(15,16)17/h9-10H,4-8H2,1-3H3
InChIKeyVSGSWHQGJRVSTP-UHFFFAOYSA-N
XLogP1.57
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[2-(2,5,5-trimethylmorpholine-4-carbonyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[2-(2,5,5-trimethylmorpholine-4-carbonyl)pyrrolidin-1-yl]ethanone (CID 112507511) is 2,2,2-trifluoro-1-[2-(2,5,5-trimethylmorpholine-4-carbonyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[2-(2,5,5-trimethylmorpholine-4-carbonyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[2-(2,5,5-trimethylmorpholine-4-carbonyl)pyrrolidin-1-yl]ethanone is CC1CN(C(=O)C2CCCN2C(=O)C(F)(F)F)C(C)(C)CO1.
What is the InChIKey of 2,2,2-trifluoro-1-[2-(2,5,5-trimethylmorpholine-4-carbonyl)pyrrolidin-1-yl]ethanone?
The InChIKey is VSGSWHQGJRVSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2O3/c1-9-7-19(13(2,3)8-22-9)11(20)10-5-4-6-18(10)12(21)14(15,16)17/h9-10H,4-8H2,1-3H3.
What are the key properties of 2,2,2-trifluoro-1-[2-(2,5,5-trimethylmorpholine-4-carbonyl)pyrrolidin-1-yl]ethanone?
2,2,2-trifluoro-1-[2-(2,5,5-trimethylmorpholine-4-carbonyl)pyrrolidin-1-yl]ethanone has a molecular weight of 322.33 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[2-(2,5,5-trimethylmorpholine-4-carbonyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 112507511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).