N-methylazetidin-3-amine;2,2,2-trifluoroacetic acid;hydrochloride

C6H12ClF3N2O2 — CID 68585273

IUPACN-methylazetidin-3-amine;2,2,2-trifluoroacetic acid;hydrochloride
SMILESCNC1CNC1.Cl.O=C(O)C(F)(F)F
InChIInChI=1S/C4H10N2.C2HF3O2.ClH/c1-5-4-2-6-3-4;3-2(4,5)1(6)7;/h4-6H,2-3H2,1H3;(H,6,7);1H
InChIKeyNWGOBPZMUKPKTJ-UHFFFAOYSA-N
MW236.62 g/mol
LogP0.23
Rot. Bonds1

About N-methylazetidin-3-amine;2,2,2-trifluoroacetic acid;hydrochloride

N-methylazetidin-3-amine;2,2,2-trifluoroacetic acid;hydrochloride (PubChem CID 68585273) has the molecular formula C6H12ClF3N2O2 and a molecular weight of 236.62 g/mol. Its IUPAC name is N-methylazetidin-3-amine;2,2,2-trifluoroacetic acid;hydrochloride.

Molecular Properties

Compound NameN-methylazetidin-3-amine;2,2,2-trifluoroacetic acid;hydrochloride
PubChem CID68585273
Molecular FormulaC6H12ClF3N2O2
Molecular Weight236.62 g/mol
Exact Mass236.05
IUPAC NameN-methylazetidin-3-amine;2,2,2-trifluoroacetic acid;hydrochloride
SMILESCNC1CNC1.Cl.O=C(O)C(F)(F)F
InChIInChI=1S/C4H10N2.C2HF3O2.ClH/c1-5-4-2-6-3-4;3-2(4,5)1(6)7;/h4-6H,2-3H2,1H3;(H,6,7);1H
InChIKeyNWGOBPZMUKPKTJ-UHFFFAOYSA-N
XLogP0.23
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.62
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methylazetidin-3-amine;2,2,2-trifluoroacetic acid;hydrochloride?
The IUPAC name of N-methylazetidin-3-amine;2,2,2-trifluoroacetic acid;hydrochloride (CID 68585273) is N-methylazetidin-3-amine;2,2,2-trifluoroacetic acid;hydrochloride.
What is the SMILES notation for N-methylazetidin-3-amine;2,2,2-trifluoroacetic acid;hydrochloride?
The canonical SMILES for N-methylazetidin-3-amine;2,2,2-trifluoroacetic acid;hydrochloride is CNC1CNC1.Cl.O=C(O)C(F)(F)F.
What is the InChIKey of N-methylazetidin-3-amine;2,2,2-trifluoroacetic acid;hydrochloride?
The InChIKey is NWGOBPZMUKPKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2.C2HF3O2.ClH/c1-5-4-2-6-3-4;3-2(4,5)1(6)7;/h4-6H,2-3H2,1H3;(H,6,7);1H.
What are the key properties of N-methylazetidin-3-amine;2,2,2-trifluoroacetic acid;hydrochloride?
N-methylazetidin-3-amine;2,2,2-trifluoroacetic acid;hydrochloride has a molecular weight of 236.62 g/mol, XLogP of 0.23, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylazetidin-3-amine;2,2,2-trifluoroacetic acid;hydrochloride is sourced from PubChem (CID 68585273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).