[3-(methylamino)azetidin-1-yl] 2,2,2-trifluoroacetate;hydrochloride

C6H10ClF3N2O2 — CID 68585276

IUPAC[3-(methylamino)azetidin-1-yl] 2,2,2-trifluoroacetate;hydrochloride
SMILESCNC1CN(OC(=O)C(F)(F)F)C1.Cl
InChIInChI=1S/C6H9F3N2O2.ClH/c1-10-4-2-11(3-4)13-5(12)6(7,8)9;/h4,10H,2-3H2,1H3;1H
InChIKeyWIWKGCLPAZYDDS-UHFFFAOYSA-N
MW234.60 g/mol
LogP0.33
Rot. Bonds2

About [3-(methylamino)azetidin-1-yl] 2,2,2-trifluoroacetate;hydrochloride

[3-(methylamino)azetidin-1-yl] 2,2,2-trifluoroacetate;hydrochloride (PubChem CID 68585276) has the molecular formula C6H10ClF3N2O2 and a molecular weight of 234.60 g/mol. Its IUPAC name is [3-(methylamino)azetidin-1-yl] 2,2,2-trifluoroacetate;hydrochloride.

Molecular Properties

Compound Name[3-(methylamino)azetidin-1-yl] 2,2,2-trifluoroacetate;hydrochloride
PubChem CID68585276
Molecular FormulaC6H10ClF3N2O2
Molecular Weight234.60 g/mol
Exact Mass234.04
IUPAC Name[3-(methylamino)azetidin-1-yl] 2,2,2-trifluoroacetate;hydrochloride
SMILESCNC1CN(OC(=O)C(F)(F)F)C1.Cl
InChIInChI=1S/C6H9F3N2O2.ClH/c1-10-4-2-11(3-4)13-5(12)6(7,8)9;/h4,10H,2-3H2,1H3;1H
InChIKeyWIWKGCLPAZYDDS-UHFFFAOYSA-N
XLogP0.33
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.60
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Methylaminoazetidine hydrochloride trifluoroacetate
CID 68585273
[3-(Methylamino)azetidin-1-yl] 2,2,2-trifluoroacetate
CID 68585277
N-methylazetidin-3-amine;2,2,2-trifluoroacetic acid
CID 89477775
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
N-methoxy-N-methylazetidin-3-amine;2,2,2-trifluoroacetic acid
CID 146314068
[3-[Methoxy(methyl)amino]azetidin-1-yl] 2,2,2-trifluoroacetate
CID 146314069
N-(azetidin-3-yl)-N-methylhydroxylamine;2,2,2-trifluoroacetic acid
CID 146314180
[Azetidin-3-yl(methyl)amino] 2,2,2-trifluoroacetate
CID 146314181
N-methoxyazetidin-3-amine;2,2,2-trifluoroacetic acid
CID 146314313

Frequently Asked Questions

What is the IUPAC name of [3-(methylamino)azetidin-1-yl] 2,2,2-trifluoroacetate;hydrochloride?
The IUPAC name of [3-(methylamino)azetidin-1-yl] 2,2,2-trifluoroacetate;hydrochloride (CID 68585276) is [3-(methylamino)azetidin-1-yl] 2,2,2-trifluoroacetate;hydrochloride.
What is the SMILES notation for [3-(methylamino)azetidin-1-yl] 2,2,2-trifluoroacetate;hydrochloride?
The canonical SMILES for [3-(methylamino)azetidin-1-yl] 2,2,2-trifluoroacetate;hydrochloride is CNC1CN(OC(=O)C(F)(F)F)C1.Cl.
What is the InChIKey of [3-(methylamino)azetidin-1-yl] 2,2,2-trifluoroacetate;hydrochloride?
The InChIKey is WIWKGCLPAZYDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N2O2.ClH/c1-10-4-2-11(3-4)13-5(12)6(7,8)9;/h4,10H,2-3H2,1H3;1H.
What are the key properties of [3-(methylamino)azetidin-1-yl] 2,2,2-trifluoroacetate;hydrochloride?
[3-(methylamino)azetidin-1-yl] 2,2,2-trifluoroacetate;hydrochloride has a molecular weight of 234.60 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylamino)azetidin-1-yl] 2,2,2-trifluoroacetate;hydrochloride is sourced from PubChem (CID 68585276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).