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

C7H13F3N2O3 — CID 146314060

IUPACN-ethoxyazetidin-3-amine;2,2,2-trifluoroacetic acid
SMILESCCONC1CNC1.O=C(O)C(F)(F)F
InChIInChI=1S/C5H12N2O.C2HF3O2/c1-2-8-7-5-3-6-4-5;3-2(4,5)1(6)7/h5-7H,2-4H2,1H3;(H,6,7)
InChIKeyJZDWOVNVZXZBDL-UHFFFAOYSA-N
MW230.19 g/mol
LogP0.13
Rot. Bonds3

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

N-ethoxyazetidin-3-amine;2,2,2-trifluoroacetic acid (PubChem CID 146314060) has the molecular formula C7H13F3N2O3 and a molecular weight of 230.19 g/mol. Its IUPAC name is N-ethoxyazetidin-3-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-ethoxyazetidin-3-amine;2,2,2-trifluoroacetic acid
PubChem CID146314060
Molecular FormulaC7H13F3N2O3
Molecular Weight230.19 g/mol
Exact Mass230.09
IUPAC NameN-ethoxyazetidin-3-amine;2,2,2-trifluoroacetic acid
SMILESCCONC1CNC1.O=C(O)C(F)(F)F
InChIInChI=1S/C5H12N2O.C2HF3O2/c1-2-8-7-5-3-6-4-5;3-2(4,5)1(6)7/h5-7H,2-4H2,1H3;(H,6,7)
InChIKeyJZDWOVNVZXZBDL-UHFFFAOYSA-N
XLogP0.13
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 50.13
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-ethoxyazetidin-3-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of N-ethoxyazetidin-3-amine;2,2,2-trifluoroacetic acid (CID 146314060) is N-ethoxyazetidin-3-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-ethoxyazetidin-3-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-ethoxyazetidin-3-amine;2,2,2-trifluoroacetic acid is CCONC1CNC1.O=C(O)C(F)(F)F.
What is the InChIKey of N-ethoxyazetidin-3-amine;2,2,2-trifluoroacetic acid?
The InChIKey is JZDWOVNVZXZBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O.C2HF3O2/c1-2-8-7-5-3-6-4-5;3-2(4,5)1(6)7/h5-7H,2-4H2,1H3;(H,6,7).
What are the key properties of N-ethoxyazetidin-3-amine;2,2,2-trifluoroacetic acid?
N-ethoxyazetidin-3-amine;2,2,2-trifluoroacetic acid has a molecular weight of 230.19 g/mol, XLogP of 0.13, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxyazetidin-3-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 146314060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).