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

C9H14F2N2O2 — CID 162607392

IUPAC(1-amino-3,3-difluorocyclobutyl)-(1,3-oxazinan-3-yl)methanone
SMILESNC1(C(=O)N2CCCOC2)CC(F)(F)C1
InChIInChI=1S/C9H14F2N2O2/c10-9(11)4-8(12,5-9)7(14)13-2-1-3-15-6-13/h1-6,12H2
InChIKeyBLHDSHJUTZPNPB-UHFFFAOYSA-N
MW220.22 g/mol
LogP0.32
Rot. Bonds1

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

(1-amino-3,3-difluorocyclobutyl)-(1,3-oxazinan-3-yl)methanone (PubChem CID 162607392) has the molecular formula C9H14F2N2O2 and a molecular weight of 220.22 g/mol. Its IUPAC name is (1-amino-3,3-difluorocyclobutyl)-(1,3-oxazinan-3-yl)methanone.

Molecular Properties

Compound Name(1-amino-3,3-difluorocyclobutyl)-(1,3-oxazinan-3-yl)methanone
PubChem CID162607392
Molecular FormulaC9H14F2N2O2
Molecular Weight220.22 g/mol
Exact Mass220.10
IUPAC Name(1-amino-3,3-difluorocyclobutyl)-(1,3-oxazinan-3-yl)methanone
SMILESNC1(C(=O)N2CCCOC2)CC(F)(F)C1
InChIInChI=1S/C9H14F2N2O2/c10-9(11)4-8(12,5-9)7(14)13-2-1-3-15-6-13/h1-6,12H2
InChIKeyBLHDSHJUTZPNPB-UHFFFAOYSA-N
XLogP0.32
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1-amino-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-ethyl-3,3-difluorocyclobutyl)-(1,3-oxazinan-3-yl)methanone
CID 142295178
1-adamantyl(1,3-oxazinan-3-yl)methanone
CID 110739642
1-(1,3-oxazinan-3-yl)butane-1,3-dione
CID 130522580
(4-aminooxan-4-yl)-piperazin-1-ylmethanone
CID 115293706
2-(2-fluorophenyl)-1-(1,3-oxazinan-3-yl)ethanone
CID 110739662
2-bromo-1-(1,4-oxazepan-4-yl)ethanone
CID 63679551
(1-aminocyclopentyl)-(azepan-1-yl)methanone
CID 60867017
(5-fluoro-2-hydroxyphenyl)-(1,3-oxazinan-3-yl)methanone
CID 126772952
1,3-oxazinan-3-yl(pyridin-4-yl)methanone
CID 110739628
2-(4-bromophenyl)-1-(1,3-oxazinan-3-yl)ethanone
CID 110739668
4-(4-aminooxane-4-carbonyl)-N,N-dimethylpiperazine-1-carboxamide
CID 115294360
1-(4-aminooxane-4-carbonyl)piperidine-3-carboxylic acid
CID 115294492

Frequently Asked Questions

What is the IUPAC name of (1-amino-3,3-difluorocyclobutyl)-(1,3-oxazinan-3-yl)methanone?
The IUPAC name of (1-amino-3,3-difluorocyclobutyl)-(1,3-oxazinan-3-yl)methanone (CID 162607392) is (1-amino-3,3-difluorocyclobutyl)-(1,3-oxazinan-3-yl)methanone.
What is the SMILES notation for (1-amino-3,3-difluorocyclobutyl)-(1,3-oxazinan-3-yl)methanone?
The canonical SMILES for (1-amino-3,3-difluorocyclobutyl)-(1,3-oxazinan-3-yl)methanone is NC1(C(=O)N2CCCOC2)CC(F)(F)C1.
What is the InChIKey of (1-amino-3,3-difluorocyclobutyl)-(1,3-oxazinan-3-yl)methanone?
The InChIKey is BLHDSHJUTZPNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N2O2/c10-9(11)4-8(12,5-9)7(14)13-2-1-3-15-6-13/h1-6,12H2.
What are the key properties of (1-amino-3,3-difluorocyclobutyl)-(1,3-oxazinan-3-yl)methanone?
(1-amino-3,3-difluorocyclobutyl)-(1,3-oxazinan-3-yl)methanone has a molecular weight of 220.22 g/mol, XLogP of 0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-3,3-difluorocyclobutyl)-(1,3-oxazinan-3-yl)methanone is sourced from PubChem (CID 162607392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).