2,2,2-trifluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide

C7H11F3N2O2 — CID 59295712

IUPAC2,2,2-trifluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide
SMILESO=C(NCC1CNCC1O)C(F)(F)F
InChIInChI=1S/C7H11F3N2O2/c8-7(9,10)6(14)12-2-4-1-11-3-5(4)13/h4-5,11,13H,1-3H2,(H,12,14)
InChIKeyHXSKLZVYEFRHME-UHFFFAOYSA-N
MW212.17 g/mol
LogP-0.75
Rot. Bonds2

About 2,2,2-trifluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide

2,2,2-trifluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide (PubChem CID 59295712) has the molecular formula C7H11F3N2O2 and a molecular weight of 212.17 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide
PubChem CID59295712
Molecular FormulaC7H11F3N2O2
Molecular Weight212.17 g/mol
Exact Mass212.08
IUPAC Name2,2,2-trifluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide
SMILESO=C(NCC1CNCC1O)C(F)(F)F
InChIInChI=1S/C7H11F3N2O2/c8-7(9,10)6(14)12-2-4-1-11-3-5(4)13/h4-5,11,13H,1-3H2,(H,12,14)
InChIKeyHXSKLZVYEFRHME-UHFFFAOYSA-N
XLogP-0.75
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.17
LogP ≤ 5-0.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoro-N-{[(3R,4S)-4-hydroxy-3-pyrrolidinyl]methyl}acetamide
CID 59026159
(3,3-Difluoro-4-hydroxypyrrolidin-1-yl)-pyrrolidin-3-ylmethanone
CID 67293830
2,2,2-trifluoro-N-{[(3R,4S)-4-hydroxy-3-pyrrolidinyl]methyl}acetamide HCl
CID 86616820
2,2,2-trifluoro-N-{[(3S,4R)-4-hydroxy-3-pyrrolidinyl]methyl}acetamide
CID 86646245
2,2,2-trifluoro-N-[[(3S,4R)-4-hydroxypyrrolidin-3-yl]methyl]acetamide;hydrochloride
CID 87481313
2,2,2-trifluoro-N-[(2R)-2-hydroxy-3-pyrrolidin-1-ylpropyl]acetamide
CID 87799914
N-[(4-fluoropyrrolidin-3-yl)methyl]-2-hydroxypropanamide
CID 123557508
(2S)-N-[[(3S,4R)-4-fluoropyrrolidin-3-yl]methyl]-2-hydroxypropanamide
CID 141430832
4-hydroxy-2-oxo-N-(3,3,3-trifluoropropyl)pyrrolidine-3-carboxamide
CID 142438446
N-(2,2-difluoroethyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide
CID 142438461
4-hydroxy-2-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 142438491
N-[[(3S,4R)-4-fluoropyrrolidin-3-yl]methyl]-2-hydroxypropanamide
CID 144716302

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide (CID 59295712) is 2,2,2-trifluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide is O=C(NCC1CNCC1O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide?
The InChIKey is HXSKLZVYEFRHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O2/c8-7(9,10)6(14)12-2-4-1-11-3-5(4)13/h4-5,11,13H,1-3H2,(H,12,14).
What are the key properties of 2,2,2-trifluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide?
2,2,2-trifluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide has a molecular weight of 212.17 g/mol, XLogP of -0.75, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide is sourced from PubChem (CID 59295712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).