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

C7H10F3NO2 — CID 62372909

IUPAC2,2,2-trifluoro-1-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone
SMILESO=C(N1CCC(CO)C1)C(F)(F)F
InChIInChI=1S/C7H10F3NO2/c8-7(9,10)6(13)11-2-1-5(3-11)4-12/h5,12H,1-4H2
InChIKeyMEEBWZOCZXDKOC-UHFFFAOYSA-N
MW197.16 g/mol
LogP0.39
Rot. Bonds1

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

2,2,2-trifluoro-1-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone (PubChem CID 62372909) has the molecular formula C7H10F3NO2 and a molecular weight of 197.16 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone
PubChem CID62372909
Molecular FormulaC7H10F3NO2
Molecular Weight197.16 g/mol
Exact Mass197.07
IUPAC Name2,2,2-trifluoro-1-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone
SMILESO=C(N1CCC(CO)C1)C(F)(F)F
InChIInChI=1S/C7H10F3NO2/c8-7(9,10)6(13)11-2-1-5(3-11)4-12/h5,12H,1-4H2
InChIKeyMEEBWZOCZXDKOC-UHFFFAOYSA-N
XLogP0.39
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.16
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone (CID 62372909) is 2,2,2-trifluoro-1-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone is O=C(N1CCC(CO)C1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone?
The InChIKey is MEEBWZOCZXDKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO2/c8-7(9,10)6(13)11-2-1-5(3-11)4-12/h5,12H,1-4H2.
What are the key properties of 2,2,2-trifluoro-1-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone?
2,2,2-trifluoro-1-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone has a molecular weight of 197.16 g/mol, XLogP of 0.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 62372909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).