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

C7H13F3N2O2 — CID 139291024

IUPACN,N-dimethylazetidin-3-amine;2,2,2-trifluoroacetic acid
SMILESCN(C)C1CNC1.O=C(O)C(F)(F)F
InChIInChI=1S/C5H12N2.C2HF3O2/c1-7(2)5-3-6-4-5;3-2(4,5)1(6)7/h5-6H,3-4H2,1-2H3;(H,6,7)
InChIKeyOSGVHVFLGGDLIJ-UHFFFAOYSA-N
MW214.19 g/mol
LogP0.15
Rot. Bonds1

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

N,N-dimethylazetidin-3-amine;2,2,2-trifluoroacetic acid (PubChem CID 139291024) has the molecular formula C7H13F3N2O2 and a molecular weight of 214.19 g/mol. Its IUPAC name is N,N-dimethylazetidin-3-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN,N-dimethylazetidin-3-amine;2,2,2-trifluoroacetic acid
PubChem CID139291024
Molecular FormulaC7H13F3N2O2
Molecular Weight214.19 g/mol
Exact Mass214.09
IUPAC NameN,N-dimethylazetidin-3-amine;2,2,2-trifluoroacetic acid
SMILESCN(C)C1CNC1.O=C(O)C(F)(F)F
InChIInChI=1S/C5H12N2.C2HF3O2/c1-7(2)5-3-6-4-5;3-2(4,5)1(6)7/h5-6H,3-4H2,1-2H3;(H,6,7)
InChIKeyOSGVHVFLGGDLIJ-UHFFFAOYSA-N
XLogP0.15
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.19
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-Aminoazetidin-1-yl)ethan-1-one; trifluoroacetic acid
CID 137698835
Azetidin-3-amine; bis(trifluoroacetic acid)
CID 137838504
1-(2,2,2-Trifluoroethyl)azetidin-3-amine; bis(trifluoroacetic acid)
CID 137944795
[(Azetidin-3-yl)sulfamoyl]dimethylamine; trifluoroacetic acid
CID 138990998
3-Azidoazetidine; trifluoroacetic acid
CID 165940324
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
N-(azetidin-3-yl)acetamide trifluoroacetate
CID 67008008
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
1-[3-(Methylamino)azetidin-1-yl]ethanone;2,2,2-trifluoroacetic acid
CID 68585354

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylazetidin-3-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of N,N-dimethylazetidin-3-amine;2,2,2-trifluoroacetic acid (CID 139291024) is N,N-dimethylazetidin-3-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N,N-dimethylazetidin-3-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for N,N-dimethylazetidin-3-amine;2,2,2-trifluoroacetic acid is CN(C)C1CNC1.O=C(O)C(F)(F)F.
What is the InChIKey of N,N-dimethylazetidin-3-amine;2,2,2-trifluoroacetic acid?
The InChIKey is OSGVHVFLGGDLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2.C2HF3O2/c1-7(2)5-3-6-4-5;3-2(4,5)1(6)7/h5-6H,3-4H2,1-2H3;(H,6,7).
What are the key properties of N,N-dimethylazetidin-3-amine;2,2,2-trifluoroacetic acid?
N,N-dimethylazetidin-3-amine;2,2,2-trifluoroacetic acid has a molecular weight of 214.19 g/mol, XLogP of 0.15, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylazetidin-3-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 139291024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).