(3,3-difluorocyclobutyl)-(8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone

C16H19F2N3O3 — CID 131655808

IUPAC(3,3-difluorocyclobutyl)-(8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone
SMILESO=C(C1CC(F)(F)C1)N1CC2(CC(Oc3ncccn3)CCO2)C1
InChIInChI=1S/C16H19F2N3O3/c17-16(18)6-11(7-16)13(22)21-9-15(10-21)8-12(2-5-23-15)24-14-19-3-1-4-20-14/h1,3-4,11-12H,2,5-10H2
InChIKeyVFYWBESTJGTSQY-UHFFFAOYSA-N
MW339.34 g/mol
LogP1.66
Rot. Bonds3

About (3,3-difluorocyclobutyl)-(8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone

(3,3-difluorocyclobutyl)-(8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone (PubChem CID 131655808) has the molecular formula C16H19F2N3O3 and a molecular weight of 339.34 g/mol. Its IUPAC name is (3,3-difluorocyclobutyl)-(8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone.

Molecular Properties

Compound Name(3,3-difluorocyclobutyl)-(8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone
PubChem CID131655808
Molecular FormulaC16H19F2N3O3
Molecular Weight339.34 g/mol
Exact Mass339.14
IUPAC Name(3,3-difluorocyclobutyl)-(8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone
SMILESO=C(C1CC(F)(F)C1)N1CC2(CC(Oc3ncccn3)CCO2)C1
InChIInChI=1S/C16H19F2N3O3/c17-16(18)6-11(7-16)13(22)21-9-15(10-21)8-12(2-5-23-15)24-14-19-3-1-4-20-14/h1,3-4,11-12H,2,5-10H2
InChIKeyVFYWBESTJGTSQY-UHFFFAOYSA-N
XLogP1.66
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.34
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3,3-difluorocyclobutyl)-(8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-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

3,3-difluoro-N-[2-[(8R)-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]cyclobutane-1-carboxamide
CID 124233879
3,3-difluoro-N-[2-[(8S)-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]cyclobutane-1-carboxamide
CID 124233880
(3,3-difluorocyclobutyl)-[(8R)-8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 124244496
(3,3-difluorocyclobutyl)-[(8S)-8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 124244497
(1-Fluorocyclobutyl)-(8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)methanone
CID 131685281
3,3-difluoro-N-[2-(2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.4]octan-8-yl)ethyl]cyclobutane-1-carboxamide
CID 133135706
2-{[1-(3,3-Difluorocyclobutanecarbonyl)piperidin-4-yl]methoxy}pyrimidine
CID 137916893
2-{[1-(3,3-Difluorocyclobutanecarbonyl)piperidin-3-yl]methoxy}pyrimidine
CID 137916895
2-Propan-2-yl-8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid
CID 155836564
2-cyclopropyl-N-[(2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonan-7-yl)methyl]acetamide;2,2,2-trifluoroacetic acid
CID 155839619
8-(Cyclopropylmethoxy)-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid
CID 155852224
8-(Cyclopentylmethoxy)-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane;2,2,2-trifluoroacetic acid
CID 155855948

Frequently Asked Questions

What is the IUPAC name of (3,3-difluorocyclobutyl)-(8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone?
The IUPAC name of (3,3-difluorocyclobutyl)-(8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone (CID 131655808) is (3,3-difluorocyclobutyl)-(8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone.
What is the SMILES notation for (3,3-difluorocyclobutyl)-(8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone?
The canonical SMILES for (3,3-difluorocyclobutyl)-(8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone is O=C(C1CC(F)(F)C1)N1CC2(CC(Oc3ncccn3)CCO2)C1.
What is the InChIKey of (3,3-difluorocyclobutyl)-(8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone?
The InChIKey is VFYWBESTJGTSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3O3/c17-16(18)6-11(7-16)13(22)21-9-15(10-21)8-12(2-5-23-15)24-14-19-3-1-4-20-14/h1,3-4,11-12H,2,5-10H2.
What are the key properties of (3,3-difluorocyclobutyl)-(8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone?
(3,3-difluorocyclobutyl)-(8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone has a molecular weight of 339.34 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluorocyclobutyl)-(8-pyrimidin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone is sourced from PubChem (CID 131655808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).