(1-ethyl-3,3-difluorocyclobutyl)-(1,3-oxazinan-3-yl)methanone

C11H17F2NO2 — CID 142295178

IUPAC(1-ethyl-3,3-difluorocyclobutyl)-(1,3-oxazinan-3-yl)methanone
SMILESCCC1(C(=O)N2CCCOC2)CC(F)(F)C1
InChIInChI=1S/C11H17F2NO2/c1-2-10(6-11(12,13)7-10)9(15)14-4-3-5-16-8-14/h2-8H2,1H3
InChIKeyHXOHEIHRZNKUKZ-UHFFFAOYSA-N
MW233.26 g/mol
LogP2.02
Rot. Bonds2

About (1-ethyl-3,3-difluorocyclobutyl)-(1,3-oxazinan-3-yl)methanone

(1-ethyl-3,3-difluorocyclobutyl)-(1,3-oxazinan-3-yl)methanone (PubChem CID 142295178) has the molecular formula C11H17F2NO2 and a molecular weight of 233.26 g/mol. Its IUPAC name is (1-ethyl-3,3-difluorocyclobutyl)-(1,3-oxazinan-3-yl)methanone.

Molecular Properties

Compound Name(1-ethyl-3,3-difluorocyclobutyl)-(1,3-oxazinan-3-yl)methanone
PubChem CID142295178
Molecular FormulaC11H17F2NO2
Molecular Weight233.26 g/mol
Exact Mass233.12
IUPAC Name(1-ethyl-3,3-difluorocyclobutyl)-(1,3-oxazinan-3-yl)methanone
SMILESCCC1(C(=O)N2CCCOC2)CC(F)(F)C1
InChIInChI=1S/C11H17F2NO2/c1-2-10(6-11(12,13)7-10)9(15)14-4-3-5-16-8-14/h2-8H2,1H3
InChIKeyHXOHEIHRZNKUKZ-UHFFFAOYSA-N
XLogP2.02
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1-ethyl-3,3-difluorocyclobutyl)-(1,3-oxazinan-3-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

(1-amino-3,3-difluorocyclobutyl)-(1,3-oxazinan-3-yl)methanone
CID 162607392
1-(1,3-oxazinan-3-yl)butane-1,3-dione
CID 130522580
4-ethyl-1-(1,4-oxazepane-4-carbonyl)piperidine-4-carboxylic acid
CID 63127462
1-adamantyl(1,3-oxazinan-3-yl)methanone
CID 110739642
ethyl 1,4-oxazepane-4-carboxylate
CID 62066456
2-bromo-1-(1,4-oxazepan-4-yl)ethanone
CID 63679551
(1-ethylcyclopentyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102934084
(3,3-difluoropiperidin-1-yl)-[3-(hydroxymethyl)oxetan-3-yl]methanone
CID 116991523
2-ethyl-1-(1,4-oxazepane-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 83071222
(2-ethylmorpholin-4-yl)-(4-ethylpiperidin-4-yl)methanone
CID 63128124
2-chloro-1-(1,4-oxazepan-4-yl)propan-1-one
CID 62986954
1-(1,4-oxazepan-4-yl)but-2-yn-1-one
CID 126990282

Frequently Asked Questions

What is the IUPAC name of (1-ethyl-3,3-difluorocyclobutyl)-(1,3-oxazinan-3-yl)methanone?
The IUPAC name of (1-ethyl-3,3-difluorocyclobutyl)-(1,3-oxazinan-3-yl)methanone (CID 142295178) is (1-ethyl-3,3-difluorocyclobutyl)-(1,3-oxazinan-3-yl)methanone.
What is the SMILES notation for (1-ethyl-3,3-difluorocyclobutyl)-(1,3-oxazinan-3-yl)methanone?
The canonical SMILES for (1-ethyl-3,3-difluorocyclobutyl)-(1,3-oxazinan-3-yl)methanone is CCC1(C(=O)N2CCCOC2)CC(F)(F)C1.
What is the InChIKey of (1-ethyl-3,3-difluorocyclobutyl)-(1,3-oxazinan-3-yl)methanone?
The InChIKey is HXOHEIHRZNKUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2NO2/c1-2-10(6-11(12,13)7-10)9(15)14-4-3-5-16-8-14/h2-8H2,1H3.
What are the key properties of (1-ethyl-3,3-difluorocyclobutyl)-(1,3-oxazinan-3-yl)methanone?
(1-ethyl-3,3-difluorocyclobutyl)-(1,3-oxazinan-3-yl)methanone has a molecular weight of 233.26 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-3,3-difluorocyclobutyl)-(1,3-oxazinan-3-yl)methanone is sourced from PubChem (CID 142295178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).