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

C6H11F3N2O2 — CID 89477775

IUPACN-methylazetidin-3-amine;2,2,2-trifluoroacetic acid
SMILESCNC1CNC1.O=C(O)C(F)(F)F
InChIInChI=1S/C4H10N2.C2HF3O2/c1-5-4-2-6-3-4;3-2(4,5)1(6)7/h4-6H,2-3H2,1H3;(H,6,7)
InChIKeyHRGJYJRWEWTSKM-UHFFFAOYSA-N
MW200.16 g/mol
LogP-0.19
Rot. Bonds1

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

N-methylazetidin-3-amine;2,2,2-trifluoroacetic acid (PubChem CID 89477775) has the molecular formula C6H11F3N2O2 and a molecular weight of 200.16 g/mol. Its IUPAC name is N-methylazetidin-3-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-methylazetidin-3-amine;2,2,2-trifluoroacetic acid
PubChem CID89477775
Molecular FormulaC6H11F3N2O2
Molecular Weight200.16 g/mol
Exact Mass200.08
IUPAC NameN-methylazetidin-3-amine;2,2,2-trifluoroacetic acid
SMILESCNC1CNC1.O=C(O)C(F)(F)F
InChIInChI=1S/C4H10N2.C2HF3O2/c1-5-4-2-6-3-4;3-2(4,5)1(6)7/h4-6H,2-3H2,1H3;(H,6,7)
InChIKeyHRGJYJRWEWTSKM-UHFFFAOYSA-N
XLogP-0.19
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.16
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Difluoromethyl)azetidine; trifluoroacetic acid
CID 119057066
Azetidin-3-amine; bis(trifluoroacetic acid)
CID 137838504
(Azetidin-3-yl)urea; trifluoroacetic acid
CID 137937525
N-(azetidin-3-yl)-2,2,2-trifluoroacetamide; trifluoroacetic acid
CID 138039905
[(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

Frequently Asked Questions

What is the IUPAC name of N-methylazetidin-3-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of N-methylazetidin-3-amine;2,2,2-trifluoroacetic acid (CID 89477775) is N-methylazetidin-3-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-methylazetidin-3-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-methylazetidin-3-amine;2,2,2-trifluoroacetic acid is CNC1CNC1.O=C(O)C(F)(F)F.
What is the InChIKey of N-methylazetidin-3-amine;2,2,2-trifluoroacetic acid?
The InChIKey is HRGJYJRWEWTSKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2.C2HF3O2/c1-5-4-2-6-3-4;3-2(4,5)1(6)7/h4-6H,2-3H2,1H3;(H,6,7).
What are the key properties of N-methylazetidin-3-amine;2,2,2-trifluoroacetic acid?
N-methylazetidin-3-amine;2,2,2-trifluoroacetic acid has a molecular weight of 200.16 g/mol, XLogP of -0.19, 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 is sourced from PubChem (CID 89477775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).