2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide

C9H15F3N2O2 — CID 103728699

IUPAC2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC1(O)CCN(CC(=O)NCC(F)(F)F)C1
InChIInChI=1S/C9H15F3N2O2/c1-8(16)2-3-14(6-8)4-7(15)13-5-9(10,11)12/h16H,2-6H2,1H3,(H,13,15)
InChIKeyMRLHLKDCPCRAFN-UHFFFAOYSA-N
MW240.22 g/mol
LogP0.12
Rot. Bonds3

About 2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide

2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 103728699) has the molecular formula C9H15F3N2O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is 2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID103728699
Molecular FormulaC9H15F3N2O2
Molecular Weight240.22 g/mol
Exact Mass240.11
IUPAC Name2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC1(O)CCN(CC(=O)NCC(F)(F)F)C1
InChIInChI=1S/C9H15F3N2O2/c1-8(16)2-3-14(6-8)4-7(15)13-5-9(10,11)12/h16H,2-6H2,1H3,(H,13,15)
InChIKeyMRLHLKDCPCRAFN-UHFFFAOYSA-N
XLogP0.12
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethylpyrrolidine;N-[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butyl]acetamide
CID 169177582
(S)-2-(3-Hydroxypyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 56687405
2-(3-hydroxypyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 62916630
2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 63365256
2-[(2-hydroxy-2-methylpropyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 64059071
2-[(2-hydroxy-2-methylbutyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 65106159
2-[(2-ethyl-2-hydroxybutyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 65111596
2-(3-ethyl-3-hydroxyazetidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 65930521
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 78962170
2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 78964524
N-(2-ethyl-2-hydroxybutyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 79038911
N-(2-hydroxy-2-methylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 79039347

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 103728699) is 2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is CC1(O)CCN(CC(=O)NCC(F)(F)F)C1.
What is the InChIKey of 2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is MRLHLKDCPCRAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O2/c1-8(16)2-3-14(6-8)4-7(15)13-5-9(10,11)12/h16H,2-6H2,1H3,(H,13,15).
What are the key properties of 2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 240.22 g/mol, XLogP of 0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 103728699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).