(3,3-difluorocyclobutyl)-[3-[(3-fluoro-4-pyridinyl)oxy]pyrrolidin-1-yl]methanone

C14H15F3N2O2 — CID 139028488

IUPAC(3,3-difluorocyclobutyl)-[3-[(3-fluoro-4-pyridinyl)oxy]pyrrolidin-1-yl]methanone
SMILESO=C(C1CC(F)(F)C1)N1CCC(Oc2ccncc2F)C1
InChIInChI=1S/C14H15F3N2O2/c15-11-7-18-3-1-12(11)21-10-2-4-19(8-10)13(20)9-5-14(16,17)6-9/h1,3,7,9-10H,2,4-6,8H2
InChIKeyQEMHMHBOVACOLU-UHFFFAOYSA-N
MW300.28 g/mol
LogP2.25
Rot. Bonds3

About (3,3-difluorocyclobutyl)-[3-[(3-fluoro-4-pyridinyl)oxy]pyrrolidin-1-yl]methanone

(3,3-difluorocyclobutyl)-[3-[(3-fluoro-4-pyridinyl)oxy]pyrrolidin-1-yl]methanone (PubChem CID 139028488) has the molecular formula C14H15F3N2O2 and a molecular weight of 300.28 g/mol. Its IUPAC name is (3,3-difluorocyclobutyl)-[3-[(3-fluoro-4-pyridinyl)oxy]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3,3-difluorocyclobutyl)-[3-[(3-fluoro-4-pyridinyl)oxy]pyrrolidin-1-yl]methanone
PubChem CID139028488
Molecular FormulaC14H15F3N2O2
Molecular Weight300.28 g/mol
Exact Mass300.11
IUPAC Name(3,3-difluorocyclobutyl)-[3-[(3-fluoro-4-pyridinyl)oxy]pyrrolidin-1-yl]methanone
SMILESO=C(C1CC(F)(F)C1)N1CCC(Oc2ccncc2F)C1
InChIInChI=1S/C14H15F3N2O2/c15-11-7-18-3-1-12(11)21-10-2-4-19(8-10)13(20)9-5-14(16,17)6-9/h1,3,7,9-10H,2,4-6,8H2
InChIKeyQEMHMHBOVACOLU-UHFFFAOYSA-N
XLogP2.25
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3,3-difluorocyclobutyl)-[3-[(3-fluoro-4-pyridinyl)oxy]pyrrolidin-1-yl]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

(3-fluoro-4-pyridinyl)-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone
CID 129476479
cyclopropyl-[3-[(2-pyridin-4-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone
CID 118676010
tert-butyl 3-[(3-chloro-4-pyridinyl)oxy]pyrrolidine-1-carboxylate
CID 172892748
[(1S)-3,3-difluorocyclohexyl]-[(3S)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methanone
CID 124874061
[(3R)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 129491148
[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-thiophen-3-ylmethanone
CID 119100261
pyridin-4-yl-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone
CID 110876433
(3-fluoro-4-pyridinyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122267132
3-[(4-cyano-3-pyridinyl)oxy]pyrrolidine-1-carboxylic acid
CID 139331666
(3S)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]-N-(3-fluoro-4-pyridinyl)pyrrolidine-1-carboxamide
CID 129477628
[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 121017487
cyclopropyl-(3-pyrimidin-2-yloxypyrrolidin-1-yl)methanone
CID 122243258

Frequently Asked Questions

What is the IUPAC name of (3,3-difluorocyclobutyl)-[3-[(3-fluoro-4-pyridinyl)oxy]pyrrolidin-1-yl]methanone?
The IUPAC name of (3,3-difluorocyclobutyl)-[3-[(3-fluoro-4-pyridinyl)oxy]pyrrolidin-1-yl]methanone (CID 139028488) is (3,3-difluorocyclobutyl)-[3-[(3-fluoro-4-pyridinyl)oxy]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3,3-difluorocyclobutyl)-[3-[(3-fluoro-4-pyridinyl)oxy]pyrrolidin-1-yl]methanone?
The canonical SMILES for (3,3-difluorocyclobutyl)-[3-[(3-fluoro-4-pyridinyl)oxy]pyrrolidin-1-yl]methanone is O=C(C1CC(F)(F)C1)N1CCC(Oc2ccncc2F)C1.
What is the InChIKey of (3,3-difluorocyclobutyl)-[3-[(3-fluoro-4-pyridinyl)oxy]pyrrolidin-1-yl]methanone?
The InChIKey is QEMHMHBOVACOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O2/c15-11-7-18-3-1-12(11)21-10-2-4-19(8-10)13(20)9-5-14(16,17)6-9/h1,3,7,9-10H,2,4-6,8H2.
What are the key properties of (3,3-difluorocyclobutyl)-[3-[(3-fluoro-4-pyridinyl)oxy]pyrrolidin-1-yl]methanone?
(3,3-difluorocyclobutyl)-[3-[(3-fluoro-4-pyridinyl)oxy]pyrrolidin-1-yl]methanone has a molecular weight of 300.28 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluorocyclobutyl)-[3-[(3-fluoro-4-pyridinyl)oxy]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 139028488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).