N-methoxyazetidin-3-amine;2,2,2-trifluoroacetic acid

C6H11F3N2O3 — CID 146314313

IUPACN-methoxyazetidin-3-amine;2,2,2-trifluoroacetic acid
SMILESCONC1CNC1.O=C(O)C(F)(F)F
InChIInChI=1S/C4H10N2O.C2HF3O2/c1-7-6-4-2-5-3-4;3-2(4,5)1(6)7/h4-6H,2-3H2,1H3;(H,6,7)
InChIKeyYHMQCILWMIFOLM-UHFFFAOYSA-N
MW216.16 g/mol
LogP-0.26
Rot. Bonds2

About N-methoxyazetidin-3-amine;2,2,2-trifluoroacetic acid

N-methoxyazetidin-3-amine;2,2,2-trifluoroacetic acid (PubChem CID 146314313) has the molecular formula C6H11F3N2O3 and a molecular weight of 216.16 g/mol. Its IUPAC name is N-methoxyazetidin-3-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-methoxyazetidin-3-amine;2,2,2-trifluoroacetic acid
PubChem CID146314313
Molecular FormulaC6H11F3N2O3
Molecular Weight216.16 g/mol
Exact Mass216.07
IUPAC NameN-methoxyazetidin-3-amine;2,2,2-trifluoroacetic acid
SMILESCONC1CNC1.O=C(O)C(F)(F)F
InChIInChI=1S/C4H10N2O.C2HF3O2/c1-7-6-4-2-5-3-4;3-2(4,5)1(6)7/h4-6H,2-3H2,1H3;(H,6,7)
InChIKeyYHMQCILWMIFOLM-UHFFFAOYSA-N
XLogP-0.26
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.16
LogP ≤ 5-0.26
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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Frequently Asked Questions

What is the IUPAC name of N-methoxyazetidin-3-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of N-methoxyazetidin-3-amine;2,2,2-trifluoroacetic acid (CID 146314313) is N-methoxyazetidin-3-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-methoxyazetidin-3-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-methoxyazetidin-3-amine;2,2,2-trifluoroacetic acid is CONC1CNC1.O=C(O)C(F)(F)F.
What is the InChIKey of N-methoxyazetidin-3-amine;2,2,2-trifluoroacetic acid?
The InChIKey is YHMQCILWMIFOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O.C2HF3O2/c1-7-6-4-2-5-3-4;3-2(4,5)1(6)7/h4-6H,2-3H2,1H3;(H,6,7).
What are the key properties of N-methoxyazetidin-3-amine;2,2,2-trifluoroacetic acid?
N-methoxyazetidin-3-amine;2,2,2-trifluoroacetic acid has a molecular weight of 216.16 g/mol, XLogP of -0.26, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxyazetidin-3-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 146314313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).