N-(azetidin-3-yl)-N-methylhydroxylamine;2,2,2-trifluoroacetic acid

C6H11F3N2O3 — CID 146314180

IUPACN-(azetidin-3-yl)-N-methylhydroxylamine;2,2,2-trifluoroacetic acid
SMILESCN(O)C1CNC1.O=C(O)C(F)(F)F
InChIInChI=1S/C4H10N2O.C2HF3O2/c1-6(7)4-2-5-3-4;3-2(4,5)1(6)7/h4-5,7H,2-3H2,1H3;(H,6,7)
InChIKeyMVVDIWGJQGFPLK-UHFFFAOYSA-N
MW216.16 g/mol
LogP-0.09
Rot. Bonds1

About N-(azetidin-3-yl)-N-methylhydroxylamine;2,2,2-trifluoroacetic acid

N-(azetidin-3-yl)-N-methylhydroxylamine;2,2,2-trifluoroacetic acid (PubChem CID 146314180) has the molecular formula C6H11F3N2O3 and a molecular weight of 216.16 g/mol. Its IUPAC name is N-(azetidin-3-yl)-N-methylhydroxylamine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-(azetidin-3-yl)-N-methylhydroxylamine;2,2,2-trifluoroacetic acid
PubChem CID146314180
Molecular FormulaC6H11F3N2O3
Molecular Weight216.16 g/mol
Exact Mass216.07
IUPAC NameN-(azetidin-3-yl)-N-methylhydroxylamine;2,2,2-trifluoroacetic acid
SMILESCN(O)C1CNC1.O=C(O)C(F)(F)F
InChIInChI=1S/C4H10N2O.C2HF3O2/c1-6(7)4-2-5-3-4;3-2(4,5)1(6)7/h4-5,7H,2-3H2,1H3;(H,6,7)
InChIKeyMVVDIWGJQGFPLK-UHFFFAOYSA-N
XLogP-0.09
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.16
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Azetidin-3-amine; bis(trifluoroacetic acid)
CID 137838504
N-methylazetidin-3-amine;bis(2,2,2-trifluoroacetic acid)
CID 10086968
N,N-dimethylazetidin-3-amine;bis(2,2,2-trifluoroacetic acid)
CID 22636534
3-Methylaminoazetidine hydrochloride trifluoroacetate
CID 68585273
[3-(Methylamino)azetidin-1-yl] 2,2,2-trifluoroacetate;hydrochloride
CID 68585276
[3-(Methylamino)azetidin-1-yl] 2,2,2-trifluoroacetate
CID 68585277
N-methylazetidin-3-amine;2,2,2-trifluoroacetic acid
CID 89477775
1-N-methylpropane-1,2-diamine;2,2,2-trifluoroacetic acid
CID 90460985
N,N-dimethylazetidin-3-amine; trifluoroacetic acid
CID 139291024
[Acetyl(azetidin-3-yl)amino] 2,2,2-trifluoroacetate
CID 140228851
N-ethoxyazetidin-3-amine;2,2,2-trifluoroacetic acid
CID 146314060
[3-(Ethoxyamino)azetidin-1-yl] 2,2,2-trifluoroacetate
CID 146314061

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-N-methylhydroxylamine;2,2,2-trifluoroacetic acid?
The IUPAC name of N-(azetidin-3-yl)-N-methylhydroxylamine;2,2,2-trifluoroacetic acid (CID 146314180) is N-(azetidin-3-yl)-N-methylhydroxylamine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-(azetidin-3-yl)-N-methylhydroxylamine;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-(azetidin-3-yl)-N-methylhydroxylamine;2,2,2-trifluoroacetic acid is CN(O)C1CNC1.O=C(O)C(F)(F)F.
What is the InChIKey of N-(azetidin-3-yl)-N-methylhydroxylamine;2,2,2-trifluoroacetic acid?
The InChIKey is MVVDIWGJQGFPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O.C2HF3O2/c1-6(7)4-2-5-3-4;3-2(4,5)1(6)7/h4-5,7H,2-3H2,1H3;(H,6,7).
What are the key properties of N-(azetidin-3-yl)-N-methylhydroxylamine;2,2,2-trifluoroacetic acid?
N-(azetidin-3-yl)-N-methylhydroxylamine;2,2,2-trifluoroacetic acid has a molecular weight of 216.16 g/mol, XLogP of -0.09, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-N-methylhydroxylamine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 146314180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).