1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]ethanone

C7H10F3NO2 — CID 122533808

IUPAC1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC(O)(C(F)(F)F)C1
InChIInChI=1S/C7H10F3NO2/c1-5(12)11-3-2-6(13,4-11)7(8,9)10/h13H,2-4H2,1H3
InChIKeyUCXHLMAOWMCTOZ-UHFFFAOYSA-N
MW197.16 g/mol
LogP0.53
Rot. Bonds

About 1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]ethanone

1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]ethanone (PubChem CID 122533808) has the molecular formula C7H10F3NO2 and a molecular weight of 197.16 g/mol. Its IUPAC name is 1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]ethanone
PubChem CID122533808
Molecular FormulaC7H10F3NO2
Molecular Weight197.16 g/mol
Exact Mass197.07
IUPAC Name1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC(O)(C(F)(F)F)C1
InChIInChI=1S/C7H10F3NO2/c1-5(12)11-3-2-6(13,4-11)7(8,9)10/h13H,2-4H2,1H3
InChIKeyUCXHLMAOWMCTOZ-UHFFFAOYSA-N
XLogP0.53
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.16
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]ethanone (CID 122533808) is 1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]ethanone is CC(=O)N1CCC(O)(C(F)(F)F)C1.
What is the InChIKey of 1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]ethanone?
The InChIKey is UCXHLMAOWMCTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO2/c1-5(12)11-3-2-6(13,4-11)7(8,9)10/h13H,2-4H2,1H3.
What are the key properties of 1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]ethanone?
1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]ethanone has a molecular weight of 197.16 g/mol, XLogP of 0.53, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 122533808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).