[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] (2R)-2-phenyl-2-pyrrolidin-1-ylacetate

C16H19F3N2O3 — CID 95306625

IUPAC[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] (2R)-2-phenyl-2-pyrrolidin-1-ylacetate
SMILESO=C(COC(=O)[C@@H](c1ccccc1)N1CCCC1)NCC(F)(F)F
InChIInChI=1S/C16H19F3N2O3/c17-16(18,19)11-20-13(22)10-24-15(23)14(21-8-4-5-9-21)12-6-2-1-3-7-12/h1-3,6-7,14H,4-5,8-11H2,(H,20,22)/t14-/m1/s1
InChIKeyCIKOTFYCWGGZHS-CQSZACIVSA-N
MW344.33 g/mol
LogP2.05
Rot. Bonds6

About [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] (2R)-2-phenyl-2-pyrrolidin-1-ylacetate

[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] (2R)-2-phenyl-2-pyrrolidin-1-ylacetate (PubChem CID 95306625) has the molecular formula C16H19F3N2O3 and a molecular weight of 344.33 g/mol. Its IUPAC name is [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] (2R)-2-phenyl-2-pyrrolidin-1-ylacetate.

Molecular Properties

Compound Name[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] (2R)-2-phenyl-2-pyrrolidin-1-ylacetate
PubChem CID95306625
Molecular FormulaC16H19F3N2O3
Molecular Weight344.33 g/mol
Exact Mass344.13
IUPAC Name[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] (2R)-2-phenyl-2-pyrrolidin-1-ylacetate
SMILESO=C(COC(=O)[C@@H](c1ccccc1)N1CCCC1)NCC(F)(F)F
InChIInChI=1S/C16H19F3N2O3/c17-16(18,19)11-20-13(22)10-24-15(23)14(21-8-4-5-9-21)12-6-2-1-3-7-12/h1-3,6-7,14H,4-5,8-11H2,(H,20,22)/t14-/m1/s1
InChIKeyCIKOTFYCWGGZHS-CQSZACIVSA-N
XLogP2.05
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-phenyl-2-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 94749994
[2-(ethylamino)-2-oxoethyl] (2S)-2-phenyl-2-thiomorpholin-4-ylacetate
CID 95635785
methyl 2-phenyl-2-piperidin-1-ylacetate
CID 12957460
2-phenyl-2-pyrrolidin-1-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 56509917
propyl (2S)-2-phenyl-2-piperidin-1-ylacetate
CID 97355368
2-(azocan-1-yl)-2-phenylacetamide
CID 42889497
tert-butyl 2-phenyl-2-piperidin-1-ylacetate;hydrochloride
CID 117066829
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-piperidin-1-ylsulfonylbenzoate
CID 2609049
2-benzhydrylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 112777132
propan-2-yl 2-phenyl-2-piperidin-1-ylacetate
CID 85412876
2-phenyl-2-piperidin-1-ylacetamide;hydrochloride
CID 138401908
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate
CID 8848214

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] (2R)-2-phenyl-2-pyrrolidin-1-ylacetate?
The IUPAC name of [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] (2R)-2-phenyl-2-pyrrolidin-1-ylacetate (CID 95306625) is [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] (2R)-2-phenyl-2-pyrrolidin-1-ylacetate.
What is the SMILES notation for [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] (2R)-2-phenyl-2-pyrrolidin-1-ylacetate?
The canonical SMILES for [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] (2R)-2-phenyl-2-pyrrolidin-1-ylacetate is O=C(COC(=O)[C@@H](c1ccccc1)N1CCCC1)NCC(F)(F)F.
What is the InChIKey of [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] (2R)-2-phenyl-2-pyrrolidin-1-ylacetate?
The InChIKey is CIKOTFYCWGGZHS-CQSZACIVSA-N. The full InChI is InChI=1S/C16H19F3N2O3/c17-16(18,19)11-20-13(22)10-24-15(23)14(21-8-4-5-9-21)12-6-2-1-3-7-12/h1-3,6-7,14H,4-5,8-11H2,(H,20,22)/t14-/m1/s1.
What are the key properties of [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] (2R)-2-phenyl-2-pyrrolidin-1-ylacetate?
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] (2R)-2-phenyl-2-pyrrolidin-1-ylacetate has a molecular weight of 344.33 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] (2R)-2-phenyl-2-pyrrolidin-1-ylacetate is sourced from PubChem (CID 95306625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).