2,2,2-trifluoro-N-[(4S)-4-(hydroxymethyl)pyrrolidin-3-yl]acetamide

C7H11F3N2O2 — CID 130223962

IUPAC2,2,2-trifluoro-N-[(4S)-4-(hydroxymethyl)pyrrolidin-3-yl]acetamide
SMILESO=C(NC1CNC[C@@H]1CO)C(F)(F)F
InChIInChI=1S/C7H11F3N2O2/c8-7(9,10)6(14)12-5-2-11-1-4(5)3-13/h4-5,11,13H,1-3H2,(H,12,14)/t4-,5?/m1/s1
InChIKeyQXHUFTSAZVKHLI-CNZKWPKMSA-N
MW212.17 g/mol
LogP-0.75
Rot. Bonds2

About 2,2,2-trifluoro-N-[(4S)-4-(hydroxymethyl)pyrrolidin-3-yl]acetamide

2,2,2-trifluoro-N-[(4S)-4-(hydroxymethyl)pyrrolidin-3-yl]acetamide (PubChem CID 130223962) has the molecular formula C7H11F3N2O2 and a molecular weight of 212.17 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(4S)-4-(hydroxymethyl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(4S)-4-(hydroxymethyl)pyrrolidin-3-yl]acetamide
PubChem CID130223962
Molecular FormulaC7H11F3N2O2
Molecular Weight212.17 g/mol
Exact Mass212.08
IUPAC Name2,2,2-trifluoro-N-[(4S)-4-(hydroxymethyl)pyrrolidin-3-yl]acetamide
SMILESO=C(NC1CNC[C@@H]1CO)C(F)(F)F
InChIInChI=1S/C7H11F3N2O2/c8-7(9,10)6(14)12-5-2-11-1-4(5)3-13/h4-5,11,13H,1-3H2,(H,12,14)/t4-,5?/m1/s1
InChIKeyQXHUFTSAZVKHLI-CNZKWPKMSA-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

N-[4-(Hydroxymethyl)pyrrolidin-3-YL]acetamide
CID 110202602
2,2,2-trifluoro-N-[(3R,4S)-4-(hydroxymethyl)pyrrolidin-3-yl]acetamide
CID 129314274
2,2,2-trifluoro-N-[4-(hydroxymethyl)pyrrolidin-3-yl]acetamide
CID 129314276
2,2,2-trifluoro-N-[(3S,4R)-4-(hydroxymethyl)pyrrolidin-3-yl]acetamide
CID 129314277
2,2,2-trifluoro-N-[(3R)-4-(hydroxymethyl)pyrrolidin-3-yl]acetamide
CID 130203902
2,2,2-trifluoro-N-(2-hydroxypyrrolidin-3-yl)acetamide
CID 141881955
N-(1-amino-4-hydroxybutan-2-yl)-2,2,2-trifluoroacetamide
CID 156761460
2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 62371374
2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 75386169
2,2,2-Trifluoro-1-[3-(3-hydroxypropylamino)pyrrolidin-1-yl]ethanone
CID 84059044
2,2,2-Trifluoro-1-[3-[(3-hydroxypropylamino)methyl]pyrrolidin-1-yl]ethanone
CID 84060329
(2S)-2-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 97237723

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(4S)-4-(hydroxymethyl)pyrrolidin-3-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(4S)-4-(hydroxymethyl)pyrrolidin-3-yl]acetamide (CID 130223962) is 2,2,2-trifluoro-N-[(4S)-4-(hydroxymethyl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(4S)-4-(hydroxymethyl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(4S)-4-(hydroxymethyl)pyrrolidin-3-yl]acetamide is O=C(NC1CNC[C@@H]1CO)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[(4S)-4-(hydroxymethyl)pyrrolidin-3-yl]acetamide?
The InChIKey is QXHUFTSAZVKHLI-CNZKWPKMSA-N. The full InChI is InChI=1S/C7H11F3N2O2/c8-7(9,10)6(14)12-5-2-11-1-4(5)3-13/h4-5,11,13H,1-3H2,(H,12,14)/t4-,5?/m1/s1.
What are the key properties of 2,2,2-trifluoro-N-[(4S)-4-(hydroxymethyl)pyrrolidin-3-yl]acetamide?
2,2,2-trifluoro-N-[(4S)-4-(hydroxymethyl)pyrrolidin-3-yl]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-[(4S)-4-(hydroxymethyl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 130223962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).