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

C12H17F3N2O3 — CID 110292455

IUPAC2,2,2-trifluoro-1-[2-(2-methylmorpholine-4-carbonyl)pyrrolidin-1-yl]ethanone
SMILESCC1CN(C(=O)C2CCCN2C(=O)C(F)(F)F)CCO1
InChIInChI=1S/C12H17F3N2O3/c1-8-7-16(5-6-20-8)10(18)9-3-2-4-17(9)11(19)12(13,14)15/h8-9H,2-7H2,1H3
InChIKeyVXIWEFQUOMFPNU-UHFFFAOYSA-N
MW294.27 g/mol
LogP0.79
Rot. Bonds1

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

2,2,2-trifluoro-1-[2-(2-methylmorpholine-4-carbonyl)pyrrolidin-1-yl]ethanone (PubChem CID 110292455) has the molecular formula C12H17F3N2O3 and a molecular weight of 294.27 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[2-(2-methylmorpholine-4-carbonyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[2-(2-methylmorpholine-4-carbonyl)pyrrolidin-1-yl]ethanone
PubChem CID110292455
Molecular FormulaC12H17F3N2O3
Molecular Weight294.27 g/mol
Exact Mass294.12
IUPAC Name2,2,2-trifluoro-1-[2-(2-methylmorpholine-4-carbonyl)pyrrolidin-1-yl]ethanone
SMILESCC1CN(C(=O)C2CCCN2C(=O)C(F)(F)F)CCO1
InChIInChI=1S/C12H17F3N2O3/c1-8-7-16(5-6-20-8)10(18)9-3-2-4-17(9)11(19)12(13,14)15/h8-9H,2-7H2,1H3
InChIKeyVXIWEFQUOMFPNU-UHFFFAOYSA-N
XLogP0.79
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 50.79
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-methylmorpholine-4-carbonyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[2-(2-methylmorpholine-4-carbonyl)pyrrolidin-1-yl]ethanone (CID 110292455) is 2,2,2-trifluoro-1-[2-(2-methylmorpholine-4-carbonyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[2-(2-methylmorpholine-4-carbonyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[2-(2-methylmorpholine-4-carbonyl)pyrrolidin-1-yl]ethanone is CC1CN(C(=O)C2CCCN2C(=O)C(F)(F)F)CCO1.
What is the InChIKey of 2,2,2-trifluoro-1-[2-(2-methylmorpholine-4-carbonyl)pyrrolidin-1-yl]ethanone?
The InChIKey is VXIWEFQUOMFPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O3/c1-8-7-16(5-6-20-8)10(18)9-3-2-4-17(9)11(19)12(13,14)15/h8-9H,2-7H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-[2-(2-methylmorpholine-4-carbonyl)pyrrolidin-1-yl]ethanone?
2,2,2-trifluoro-1-[2-(2-methylmorpholine-4-carbonyl)pyrrolidin-1-yl]ethanone has a molecular weight of 294.27 g/mol, XLogP of 0.79, 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-methylmorpholine-4-carbonyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 110292455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).