2-[1-[(3,3-difluorocyclobutyl)methyl]pyrrolidin-3-yl]oxy-6-fluoropyridine

C14H17F3N2O — CID 172904789

IUPAC2-[1-[(3,3-difluorocyclobutyl)methyl]pyrrolidin-3-yl]oxy-6-fluoropyridine
SMILESFc1cccc(OC2CCN(CC3CC(F)(F)C3)C2)n1
InChIInChI=1S/C14H17F3N2O/c15-12-2-1-3-13(18-12)20-11-4-5-19(9-11)8-10-6-14(16,17)7-10/h1-3,10-11H,4-9H2
InChIKeyOPWNQVZCWFBEMZ-UHFFFAOYSA-N
MW286.30 g/mol
LogP2.72
Rot. Bonds4

About 2-[1-[(3,3-difluorocyclobutyl)methyl]pyrrolidin-3-yl]oxy-6-fluoropyridine

2-[1-[(3,3-difluorocyclobutyl)methyl]pyrrolidin-3-yl]oxy-6-fluoropyridine (PubChem CID 172904789) has the molecular formula C14H17F3N2O and a molecular weight of 286.30 g/mol. Its IUPAC name is 2-[1-[(3,3-difluorocyclobutyl)methyl]pyrrolidin-3-yl]oxy-6-fluoropyridine.

Molecular Properties

Compound Name2-[1-[(3,3-difluorocyclobutyl)methyl]pyrrolidin-3-yl]oxy-6-fluoropyridine
PubChem CID172904789
Molecular FormulaC14H17F3N2O
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC Name2-[1-[(3,3-difluorocyclobutyl)methyl]pyrrolidin-3-yl]oxy-6-fluoropyridine
SMILESFc1cccc(OC2CCN(CC3CC(F)(F)C3)C2)n1
InChIInChI=1S/C14H17F3N2O/c15-12-2-1-3-13(18-12)20-11-4-5-19(9-11)8-10-6-14(16,17)7-10/h1-3,10-11H,4-9H2
InChIKeyOPWNQVZCWFBEMZ-UHFFFAOYSA-N
XLogP2.72
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[1-[(3,3-difluorocyclobutyl)methyl]pyrrolidin-3-yl]oxy-6-fluoropyridine 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-(1-benzylpyrrolidin-3-yl)oxy-6-fluoropyridine
CID 62916852
2-fluoro-6-[1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]oxypyridine
CID 172904787
2-fluoro-6-[1-[2-(triazol-2-yl)ethyl]pyrrolidin-3-yl]oxypyridine
CID 172904927
N-(4-bromophenyl)-2-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]acetamide
CID 171704756
2-fluoro-6-[1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]oxypyridine
CID 171999952
2-fluoro-6-[1-(1-methoxypropan-2-yl)pyrrolidin-3-yl]oxypyridine
CID 172904774
2-fluoro-6-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxypyridine
CID 172893124
2-cyclopentyloxy-6-fluoropyridine
CID 61227788
2-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 171705156
2-chloro-1-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]propan-1-one
CID 172882207
2-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 171999925
2-fluoro-1-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-methylpropan-1-one
CID 172892893

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3,3-difluorocyclobutyl)methyl]pyrrolidin-3-yl]oxy-6-fluoropyridine?
The IUPAC name of 2-[1-[(3,3-difluorocyclobutyl)methyl]pyrrolidin-3-yl]oxy-6-fluoropyridine (CID 172904789) is 2-[1-[(3,3-difluorocyclobutyl)methyl]pyrrolidin-3-yl]oxy-6-fluoropyridine.
What is the SMILES notation for 2-[1-[(3,3-difluorocyclobutyl)methyl]pyrrolidin-3-yl]oxy-6-fluoropyridine?
The canonical SMILES for 2-[1-[(3,3-difluorocyclobutyl)methyl]pyrrolidin-3-yl]oxy-6-fluoropyridine is Fc1cccc(OC2CCN(CC3CC(F)(F)C3)C2)n1.
What is the InChIKey of 2-[1-[(3,3-difluorocyclobutyl)methyl]pyrrolidin-3-yl]oxy-6-fluoropyridine?
The InChIKey is OPWNQVZCWFBEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O/c15-12-2-1-3-13(18-12)20-11-4-5-19(9-11)8-10-6-14(16,17)7-10/h1-3,10-11H,4-9H2.
What are the key properties of 2-[1-[(3,3-difluorocyclobutyl)methyl]pyrrolidin-3-yl]oxy-6-fluoropyridine?
2-[1-[(3,3-difluorocyclobutyl)methyl]pyrrolidin-3-yl]oxy-6-fluoropyridine has a molecular weight of 286.30 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3,3-difluorocyclobutyl)methyl]pyrrolidin-3-yl]oxy-6-fluoropyridine is sourced from PubChem (CID 172904789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).