2,2,2-trifluoro-1-[(2R,3R)-3-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone

C7H10F3NO3 — CID 59097604

IUPAC2,2,2-trifluoro-1-[(2R,3R)-3-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
SMILESO=C(N1CC[C@@H](O)[C@H]1CO)C(F)(F)F
InChIInChI=1S/C7H10F3NO3/c8-7(9,10)6(14)11-2-1-5(13)4(11)3-12/h4-5,12-13H,1-3H2/t4-,5-/m1/s1
InChIKeyJCFXOUHOXVBHBA-RFZPGFLSSA-N
MW213.15 g/mol
LogP-0.50
Rot. Bonds1

About 2,2,2-trifluoro-1-[(2R,3R)-3-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone

2,2,2-trifluoro-1-[(2R,3R)-3-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone (PubChem CID 59097604) has the molecular formula C7H10F3NO3 and a molecular weight of 213.15 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[(2R,3R)-3-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[(2R,3R)-3-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
PubChem CID59097604
Molecular FormulaC7H10F3NO3
Molecular Weight213.15 g/mol
Exact Mass213.06
IUPAC Name2,2,2-trifluoro-1-[(2R,3R)-3-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
SMILESO=C(N1CC[C@@H](O)[C@H]1CO)C(F)(F)F
InChIInChI=1S/C7H10F3NO3/c8-7(9,10)6(14)11-2-1-5(13)4(11)3-12/h4-5,12-13H,1-3H2/t4-,5-/m1/s1
InChIKeyJCFXOUHOXVBHBA-RFZPGFLSSA-N
XLogP-0.50
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.15
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[(2R,3R)-3-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[(2R,3R)-3-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone (CID 59097604) is 2,2,2-trifluoro-1-[(2R,3R)-3-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[(2R,3R)-3-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[(2R,3R)-3-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone is O=C(N1CC[C@@H](O)[C@H]1CO)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-[(2R,3R)-3-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone?
The InChIKey is JCFXOUHOXVBHBA-RFZPGFLSSA-N. The full InChI is InChI=1S/C7H10F3NO3/c8-7(9,10)6(14)11-2-1-5(13)4(11)3-12/h4-5,12-13H,1-3H2/t4-,5-/m1/s1.
What are the key properties of 2,2,2-trifluoro-1-[(2R,3R)-3-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone?
2,2,2-trifluoro-1-[(2R,3R)-3-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone has a molecular weight of 213.15 g/mol, XLogP of -0.50, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[(2R,3R)-3-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 59097604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).