3-morpholin-4-yl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

C10H15F3N2O2 — CID 91623574

IUPAC3-morpholin-4-yl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESO=C1C(N2CCOCC2)CCN1CC(F)(F)F
InChIInChI=1S/C10H15F3N2O2/c11-10(12,13)7-15-2-1-8(9(15)16)14-3-5-17-6-4-14/h8H,1-7H2
InChIKeyJFBNWCYSFHJPHZ-UHFFFAOYSA-N
MW252.24 g/mol
LogP0.48
Rot. Bonds2

About 3-morpholin-4-yl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

3-morpholin-4-yl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (PubChem CID 91623574) has the molecular formula C10H15F3N2O2 and a molecular weight of 252.24 g/mol. Its IUPAC name is 3-morpholin-4-yl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-morpholin-4-yl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
PubChem CID91623574
Molecular FormulaC10H15F3N2O2
Molecular Weight252.24 g/mol
Exact Mass252.11
IUPAC Name3-morpholin-4-yl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESO=C1C(N2CCOCC2)CCN1CC(F)(F)F
InChIInChI=1S/C10H15F3N2O2/c11-10(12,13)7-15-2-1-8(9(15)16)14-3-5-17-6-4-14/h8H,1-7H2
InChIKeyJFBNWCYSFHJPHZ-UHFFFAOYSA-N
XLogP0.48
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Morpholine, 4-((2-oxo-1-pyrrolidinyl)acetyl)-
CID 746914
1-Ethyl-3-morpholinopyrrolidine-2,5-dione
CID 2942382
1-Butyl-3-morpholin-4-ylpyrrolidine-2,5-dione
CID 2948350
1-Isopropyl-3-(4-morpholinyl)-2,5-pyrrolidinedione
CID 2992675
1-(2-Methoxyethyl)-3-(4-propanoylpiperazin-1-YL)pyrrolidin-2-one
CID 91925732
3-(4-Butanoylpiperazin-1-yl)-1-(2-methoxyethyl)pyrrolidin-2-one
CID 91925734
(S)-1-methyl-3-morpholino-2-pyrrolidinone
CID 100664669
1-[2-[4-(2-Ethoxyethyl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 1822705
1-(2-Morpholin-4-yl-2-oxoethyl)-3-(trifluoromethyl)pyrrolidin-2-one
CID 135305976
1-(4-Morpholinylacetyl)-2-pyrrolidinone
CID 667775
1-Methyl-3-morpholin-4-ylpyrrolidine-2,5-dione
CID 21761789
3-(2,6-Dimethylmorpholin-4-yl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 53622799

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The IUPAC name of 3-morpholin-4-yl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (CID 91623574) is 3-morpholin-4-yl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.
What is the SMILES notation for 3-morpholin-4-yl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The canonical SMILES for 3-morpholin-4-yl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is O=C1C(N2CCOCC2)CCN1CC(F)(F)F.
What is the InChIKey of 3-morpholin-4-yl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The InChIKey is JFBNWCYSFHJPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O2/c11-10(12,13)7-15-2-1-8(9(15)16)14-3-5-17-6-4-14/h8H,1-7H2.
What are the key properties of 3-morpholin-4-yl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
3-morpholin-4-yl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one has a molecular weight of 252.24 g/mol, XLogP of 0.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is sourced from PubChem (CID 91623574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).