[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone

C14H14F4N2O2 — CID 171999583

IUPAC[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone
SMILESO=C(N1CCC(Oc2cccc(F)n2)C1)C1(C(F)(F)F)CC1
InChIInChI=1S/C14H14F4N2O2/c15-10-2-1-3-11(19-10)22-9-4-7-20(8-9)12(21)13(5-6-13)14(16,17)18/h1-3,9H,4-8H2
InChIKeyWEIYVULBNOQKNE-UHFFFAOYSA-N
MW318.27 g/mol
LogP2.54
Rot. Bonds3

About [3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone

[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone (PubChem CID 171999583) has the molecular formula C14H14F4N2O2 and a molecular weight of 318.27 g/mol. Its IUPAC name is [3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone.

Molecular Properties

Compound Name[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone
PubChem CID171999583
Molecular FormulaC14H14F4N2O2
Molecular Weight318.27 g/mol
Exact Mass318.10
IUPAC Name[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone
SMILESO=C(N1CCC(Oc2cccc(F)n2)C1)C1(C(F)(F)F)CC1
InChIInChI=1S/C14H14F4N2O2/c15-10-2-1-3-11(19-10)22-9-4-7-20(8-9)12(21)13(5-6-13)14(16,17)18/h1-3,9H,4-8H2
InChIKeyWEIYVULBNOQKNE-UHFFFAOYSA-N
XLogP2.54
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.27
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze [3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone with MolForge

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

Launch Full Analysis

Related Compounds

2-fluoro-1-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-methylpropan-1-one
CID 172892893
2-chloro-1-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]propan-1-one
CID 172882207
2-ethoxy-1-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]ethanone
CID 172882241
1-[2-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 178201856
[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 172882287
[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 172882481
5-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 172905000
[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 171704720
(3,4-dimethoxyphenyl)-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone
CID 171701550
3,4-dihydro-2H-pyran-5-yl-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone
CID 172882430
2-fluoro-6-[1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]oxypyridine
CID 172904787
[(3S)-3-fluoropyrrolidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone
CID 175876207

Frequently Asked Questions

What is the IUPAC name of [3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone?
The IUPAC name of [3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone (CID 171999583) is [3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone.
What is the SMILES notation for [3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone?
The canonical SMILES for [3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone is O=C(N1CCC(Oc2cccc(F)n2)C1)C1(C(F)(F)F)CC1.
What is the InChIKey of [3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone?
The InChIKey is WEIYVULBNOQKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F4N2O2/c15-10-2-1-3-11(19-10)22-9-4-7-20(8-9)12(21)13(5-6-13)14(16,17)18/h1-3,9H,4-8H2.
What are the key properties of [3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone?
[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone has a molecular weight of 318.27 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone is sourced from PubChem (CID 171999583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).