3,3,3-trifluoro-1-[(3R)-3-pyridin-2-yloxypyrrolidin-1-yl]propan-1-one

C12H13F3N2O2 — CID 129417057

IUPAC3,3,3-trifluoro-1-[(3R)-3-pyridin-2-yloxypyrrolidin-1-yl]propan-1-one
SMILESO=C(CC(F)(F)F)N1CC[C@@H](Oc2ccccn2)C1
InChIInChI=1S/C12H13F3N2O2/c13-12(14,15)7-11(18)17-6-4-9(8-17)19-10-3-1-2-5-16-10/h1-3,5,9H,4,6-8H2/t9-/m1/s1
InChIKeyKUDALMHJWQQCIJ-SECBINFHSA-N
MW274.24 g/mol
LogP2.01
Rot. Bonds3

About 3,3,3-trifluoro-1-[(3R)-3-pyridin-2-yloxypyrrolidin-1-yl]propan-1-one

3,3,3-trifluoro-1-[(3R)-3-pyridin-2-yloxypyrrolidin-1-yl]propan-1-one (PubChem CID 129417057) has the molecular formula C12H13F3N2O2 and a molecular weight of 274.24 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-[(3R)-3-pyridin-2-yloxypyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3,3,3-trifluoro-1-[(3R)-3-pyridin-2-yloxypyrrolidin-1-yl]propan-1-one
PubChem CID129417057
Molecular FormulaC12H13F3N2O2
Molecular Weight274.24 g/mol
Exact Mass274.09
IUPAC Name3,3,3-trifluoro-1-[(3R)-3-pyridin-2-yloxypyrrolidin-1-yl]propan-1-one
SMILESO=C(CC(F)(F)F)N1CC[C@@H](Oc2ccccn2)C1
InChIInChI=1S/C12H13F3N2O2/c13-12(14,15)7-11(18)17-6-4-9(8-17)19-10-3-1-2-5-16-10/h1-3,5,9H,4,6-8H2/t9-/m1/s1
InChIKeyKUDALMHJWQQCIJ-SECBINFHSA-N
XLogP2.01
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3,3,3-trifluoro-1-[(3R)-3-pyridin-2-yloxypyrrolidin-1-yl]propan-1-one with MolForge

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Related Compounds

1-[(3R)-3-[(3-bromo-2-pyridinyl)oxy]pyrrolidin-1-yl]-3,3,3-trifluoropropan-1-one
CID 129418139
3,3,3-trifluoro-1-[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]propan-1-one
CID 100757249
4-[2-oxo-2-(3-pyridin-2-yloxypyrrolidin-1-yl)ethoxy]benzamide
CID 136515317
1-(4-pyridin-2-yloxypiperidin-1-yl)ethanone
CID 71798593
(4-tert-butylphenyl)-[(3S)-3-pyridin-2-yloxypyrrolidin-1-yl]methanone
CID 129417459
(3R)-N-(4-fluorophenyl)-3-pyridin-2-yloxypyrrolidine-1-carboxamide
CID 129416268
2-phenyl-1-(4-pyridin-2-yloxypiperidin-1-yl)ethanone
CID 71798620
3,3-dimethyl-1-(3-pyrimidin-4-yloxypyrrolidin-1-yl)butan-1-one
CID 122160875
3-cyclopentyl-1-(3-pyridin-2-yloxyazetidin-1-yl)propan-1-one
CID 122247079
2-ethoxy-1-(4-pyridin-2-yloxypiperidin-1-yl)ethanone
CID 71798598
(3R)-N-(2-chlorophenyl)-3-pyridin-2-yloxypyrrolidine-1-carboxamide
CID 129417495
1-[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-3,3,3-trifluoropropan-1-one
CID 90637953

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-[(3R)-3-pyridin-2-yloxypyrrolidin-1-yl]propan-1-one?
The IUPAC name of 3,3,3-trifluoro-1-[(3R)-3-pyridin-2-yloxypyrrolidin-1-yl]propan-1-one (CID 129417057) is 3,3,3-trifluoro-1-[(3R)-3-pyridin-2-yloxypyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 3,3,3-trifluoro-1-[(3R)-3-pyridin-2-yloxypyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 3,3,3-trifluoro-1-[(3R)-3-pyridin-2-yloxypyrrolidin-1-yl]propan-1-one is O=C(CC(F)(F)F)N1CC[C@@H](Oc2ccccn2)C1.
What is the InChIKey of 3,3,3-trifluoro-1-[(3R)-3-pyridin-2-yloxypyrrolidin-1-yl]propan-1-one?
The InChIKey is KUDALMHJWQQCIJ-SECBINFHSA-N. The full InChI is InChI=1S/C12H13F3N2O2/c13-12(14,15)7-11(18)17-6-4-9(8-17)19-10-3-1-2-5-16-10/h1-3,5,9H,4,6-8H2/t9-/m1/s1.
What are the key properties of 3,3,3-trifluoro-1-[(3R)-3-pyridin-2-yloxypyrrolidin-1-yl]propan-1-one?
3,3,3-trifluoro-1-[(3R)-3-pyridin-2-yloxypyrrolidin-1-yl]propan-1-one has a molecular weight of 274.24 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-[(3R)-3-pyridin-2-yloxypyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 129417057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).