1-[2-(3,3-dimethylmorpholine-4-carbonyl)pyrrolidin-1-yl]-2,2,2-trifluoroethanone

C13H19F3N2O3 — CID 112507387

IUPAC1-[2-(3,3-dimethylmorpholine-4-carbonyl)pyrrolidin-1-yl]-2,2,2-trifluoroethanone
SMILESCC1(C)COCCN1C(=O)C1CCCN1C(=O)C(F)(F)F
InChIInChI=1S/C13H19F3N2O3/c1-12(2)8-21-7-6-18(12)10(19)9-4-3-5-17(9)11(20)13(14,15)16/h9H,3-8H2,1-2H3
InChIKeyGZRRFHPVSHTMQW-UHFFFAOYSA-N
MW308.30 g/mol
LogP1.18
Rot. Bonds1

About 1-[2-(3,3-dimethylmorpholine-4-carbonyl)pyrrolidin-1-yl]-2,2,2-trifluoroethanone

1-[2-(3,3-dimethylmorpholine-4-carbonyl)pyrrolidin-1-yl]-2,2,2-trifluoroethanone (PubChem CID 112507387) has the molecular formula C13H19F3N2O3 and a molecular weight of 308.30 g/mol. Its IUPAC name is 1-[2-(3,3-dimethylmorpholine-4-carbonyl)pyrrolidin-1-yl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[2-(3,3-dimethylmorpholine-4-carbonyl)pyrrolidin-1-yl]-2,2,2-trifluoroethanone
PubChem CID112507387
Molecular FormulaC13H19F3N2O3
Molecular Weight308.30 g/mol
Exact Mass308.13
IUPAC Name1-[2-(3,3-dimethylmorpholine-4-carbonyl)pyrrolidin-1-yl]-2,2,2-trifluoroethanone
SMILESCC1(C)COCCN1C(=O)C1CCCN1C(=O)C(F)(F)F
InChIInChI=1S/C13H19F3N2O3/c1-12(2)8-21-7-6-18(12)10(19)9-4-3-5-17(9)11(20)13(14,15)16/h9H,3-8H2,1-2H3
InChIKeyGZRRFHPVSHTMQW-UHFFFAOYSA-N
XLogP1.18
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,3-dimethylmorpholine-4-carbonyl)pyrrolidin-1-yl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[2-(3,3-dimethylmorpholine-4-carbonyl)pyrrolidin-1-yl]-2,2,2-trifluoroethanone (CID 112507387) is 1-[2-(3,3-dimethylmorpholine-4-carbonyl)pyrrolidin-1-yl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[2-(3,3-dimethylmorpholine-4-carbonyl)pyrrolidin-1-yl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[2-(3,3-dimethylmorpholine-4-carbonyl)pyrrolidin-1-yl]-2,2,2-trifluoroethanone is CC1(C)COCCN1C(=O)C1CCCN1C(=O)C(F)(F)F.
What is the InChIKey of 1-[2-(3,3-dimethylmorpholine-4-carbonyl)pyrrolidin-1-yl]-2,2,2-trifluoroethanone?
The InChIKey is GZRRFHPVSHTMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O3/c1-12(2)8-21-7-6-18(12)10(19)9-4-3-5-17(9)11(20)13(14,15)16/h9H,3-8H2,1-2H3.
What are the key properties of 1-[2-(3,3-dimethylmorpholine-4-carbonyl)pyrrolidin-1-yl]-2,2,2-trifluoroethanone?
1-[2-(3,3-dimethylmorpholine-4-carbonyl)pyrrolidin-1-yl]-2,2,2-trifluoroethanone has a molecular weight of 308.30 g/mol, XLogP of 1.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,3-dimethylmorpholine-4-carbonyl)pyrrolidin-1-yl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 112507387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).