2,2,2-trifluoro-1-[2-[(2S)-2-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]ethanone

C16H22F3N3O4 — CID 110286061

IUPAC2,2,2-trifluoro-1-[2-[(2S)-2-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]ethanone
SMILESO=C([C@@H]1CCCN1C(=O)C1CCCN1C(=O)C(F)(F)F)N1CCOCC1
InChIInChI=1S/C16H22F3N3O4/c17-16(18,19)15(25)22-6-2-4-12(22)14(24)21-5-1-3-11(21)13(23)20-7-9-26-10-8-20/h11-12H,1-10H2/t11-,12?/m0/s1
InChIKeyDLDXMGHSDPVNQA-PXYINDEMSA-N
MW377.36 g/mol
LogP0.39
Rot. Bonds2

About 2,2,2-trifluoro-1-[2-[(2S)-2-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]ethanone

2,2,2-trifluoro-1-[2-[(2S)-2-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]ethanone (PubChem CID 110286061) has the molecular formula C16H22F3N3O4 and a molecular weight of 377.36 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[2-[(2S)-2-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[2-[(2S)-2-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]ethanone
PubChem CID110286061
Molecular FormulaC16H22F3N3O4
Molecular Weight377.36 g/mol
Exact Mass377.16
IUPAC Name2,2,2-trifluoro-1-[2-[(2S)-2-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]ethanone
SMILESO=C([C@@H]1CCCN1C(=O)C1CCCN1C(=O)C(F)(F)F)N1CCOCC1
InChIInChI=1S/C16H22F3N3O4/c17-16(18,19)15(25)22-6-2-4-12(22)14(24)21-5-1-3-11(21)13(23)20-7-9-26-10-8-20/h11-12H,1-10H2/t11-,12?/m0/s1
InChIKeyDLDXMGHSDPVNQA-PXYINDEMSA-N
XLogP0.39
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.36
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Morpholin-4-yl-4-[(S)-2-(pyrrolidine-1-carbonyl)-pyrrolidin-1-yl]-butane-1,4-dione
CID 11348314
butyl (2S)-1-[(2S)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate
CID 91977422
(3,3-difluoropyrrolidin-1-yl)-[(2S,4S)-4-morpholin-4-ylpyrrolidin-2-yl]methanone
CID 140025266
2,2,2-Trifluoroethyl 2-(2,6-dimethylmorpholine-4-carbonyl)pyrrolidine-1-carboxylate
CID 53554116
2,2,2-Trifluoro-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]ethanone
CID 60707748
Piperazin-1-yl-[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-yl]methanone
CID 61490666
2,2,2-Trifluoroethyl 2-(morpholine-4-carbonyl)pyrrolidine-1-carboxylate
CID 63091233
3-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79924941
Morpholin-4-yl-[1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidin-2-yl]methanone
CID 86792766
2,2,2-trifluoroethyl (2S)-2-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]pyrrolidine-1-carboxylate
CID 95244934
2,2,2-trifluoroethyl (2S)-2-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]pyrrolidine-1-carboxylate
CID 95244936
2,2,2-trifluoroethyl (2R)-2-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]pyrrolidine-1-carboxylate
CID 99820316

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[2-[(2S)-2-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[2-[(2S)-2-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]ethanone (CID 110286061) is 2,2,2-trifluoro-1-[2-[(2S)-2-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[2-[(2S)-2-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[2-[(2S)-2-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]ethanone is O=C([C@@H]1CCCN1C(=O)C1CCCN1C(=O)C(F)(F)F)N1CCOCC1.
What is the InChIKey of 2,2,2-trifluoro-1-[2-[(2S)-2-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]ethanone?
The InChIKey is DLDXMGHSDPVNQA-PXYINDEMSA-N. The full InChI is InChI=1S/C16H22F3N3O4/c17-16(18,19)15(25)22-6-2-4-12(22)14(24)21-5-1-3-11(21)13(23)20-7-9-26-10-8-20/h11-12H,1-10H2/t11-,12?/m0/s1.
What are the key properties of 2,2,2-trifluoro-1-[2-[(2S)-2-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]ethanone?
2,2,2-trifluoro-1-[2-[(2S)-2-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]ethanone has a molecular weight of 377.36 g/mol, XLogP of 0.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[2-[(2S)-2-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 110286061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).