3,3,3-trifluoro-1-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one

C8H12F3NO2 — CID 62348317

IUPAC3,3,3-trifluoro-1-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
SMILESO=C(CC(F)(F)F)N1CCC(CO)C1
InChIInChI=1S/C8H12F3NO2/c9-8(10,11)3-7(14)12-2-1-6(4-12)5-13/h6,13H,1-5H2
InChIKeyNIWBHVCHURUFMU-UHFFFAOYSA-N
MW211.18 g/mol
LogP0.78
Rot. Bonds2

About 3,3,3-trifluoro-1-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one

3,3,3-trifluoro-1-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one (PubChem CID 62348317) has the molecular formula C8H12F3NO2 and a molecular weight of 211.18 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3,3,3-trifluoro-1-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
PubChem CID62348317
Molecular FormulaC8H12F3NO2
Molecular Weight211.18 g/mol
Exact Mass211.08
IUPAC Name3,3,3-trifluoro-1-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
SMILESO=C(CC(F)(F)F)N1CCC(CO)C1
InChIInChI=1S/C8H12F3NO2/c9-8(10,11)3-7(14)12-2-1-6(4-12)5-13/h6,13H,1-5H2
InChIKeyNIWBHVCHURUFMU-UHFFFAOYSA-N
XLogP0.78
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,3,3-trifluoro-1-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 3,3,3-trifluoro-1-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one (CID 62348317) is 3,3,3-trifluoro-1-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 3,3,3-trifluoro-1-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 3,3,3-trifluoro-1-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one is O=C(CC(F)(F)F)N1CCC(CO)C1.
What is the InChIKey of 3,3,3-trifluoro-1-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is NIWBHVCHURUFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO2/c9-8(10,11)3-7(14)12-2-1-6(4-12)5-13/h6,13H,1-5H2.
What are the key properties of 3,3,3-trifluoro-1-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one?
3,3,3-trifluoro-1-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 211.18 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 62348317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).