1-[(2S)-azetidin-2-yl]-N,N-dimethylmethanamine;2,2,2-trifluoroacetic acid

C8H15F3N2O2 — CID 170906116

IUPAC1-[(2S)-azetidin-2-yl]-N,N-dimethylmethanamine;2,2,2-trifluoroacetic acid
SMILESCN(C)C[C@@H]1CCN1.O=C(O)C(F)(F)F
InChIInChI=1S/C6H14N2.C2HF3O2/c1-8(2)5-6-3-4-7-6;3-2(4,5)1(6)7/h6-7H,3-5H2,1-2H3;(H,6,7)/t6-;/m0./s1
InChIKeySRTIGGAFQUPFTM-RGMNGODLSA-N
MW228.21 g/mol
LogP0.54
Rot. Bonds2

About 1-[(2S)-azetidin-2-yl]-N,N-dimethylmethanamine;2,2,2-trifluoroacetic acid

1-[(2S)-azetidin-2-yl]-N,N-dimethylmethanamine;2,2,2-trifluoroacetic acid (PubChem CID 170906116) has the molecular formula C8H15F3N2O2 and a molecular weight of 228.21 g/mol. Its IUPAC name is 1-[(2S)-azetidin-2-yl]-N,N-dimethylmethanamine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-[(2S)-azetidin-2-yl]-N,N-dimethylmethanamine;2,2,2-trifluoroacetic acid
PubChem CID170906116
Molecular FormulaC8H15F3N2O2
Molecular Weight228.21 g/mol
Exact Mass228.11
IUPAC Name1-[(2S)-azetidin-2-yl]-N,N-dimethylmethanamine;2,2,2-trifluoroacetic acid
SMILESCN(C)C[C@@H]1CCN1.O=C(O)C(F)(F)F
InChIInChI=1S/C6H14N2.C2HF3O2/c1-8(2)5-6-3-4-7-6;3-2(4,5)1(6)7/h6-7H,3-5H2,1-2H3;(H,6,7)/t6-;/m0./s1
InChIKeySRTIGGAFQUPFTM-RGMNGODLSA-N
XLogP0.54
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(2S)-azetidin-2-yl]-N,N-dimethylmethanamine;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2S)-azetidin-2-yl]-N,N-dimethylmethanamine;ethane
CID 156727541
N,N-dimethylethanamine;2,2,2-trifluoroacetic acid
CID 118626568
pyrrolidin-2-ylmethanol;2,2,2-trifluoroacetic acid
CID 159288961
(E)-N-methoxy-N-methyl-3-[(2S)-pyrrolidin-2-yl]prop-2-enamide;2,2,2-trifluoroacetic acid
CID 71615144
N-(azetidin-2-ylmethyl)-N,2-dimethylpropan-2-amine
CID 130948944
(2S)-azetidine-2-carbonitrile;2,2,2-trifluoroacetic acid
CID 174211158
N-(cyclopropylmethyl)-N-piperidin-4-ylacetamide;2,2,2-trifluoroacetic acid
CID 155407853
N,N-dimethylmethanamine;2,2,2-trifluoroacetic acid;hydrochloride
CID 159443818
N,N-dimethyl-1-piperidin-2-ylmethanamine;dihydrochloride
CID 45075192
1-ethyl-3-piperidin-4-ylurea;2,2,2-trifluoroacetic acid
CID 174864517
1-[(2S)-pyrrolidin-2-yl]propan-1-one;2,2,2-trifluoroacetic acid
CID 46863476
2-[(2R)-azetidin-2-yl]-N,N-dimethylacetamide;hydrochloride
CID 118994739

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-azetidin-2-yl]-N,N-dimethylmethanamine;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-[(2S)-azetidin-2-yl]-N,N-dimethylmethanamine;2,2,2-trifluoroacetic acid (CID 170906116) is 1-[(2S)-azetidin-2-yl]-N,N-dimethylmethanamine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-[(2S)-azetidin-2-yl]-N,N-dimethylmethanamine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-[(2S)-azetidin-2-yl]-N,N-dimethylmethanamine;2,2,2-trifluoroacetic acid is CN(C)C[C@@H]1CCN1.O=C(O)C(F)(F)F.
What is the InChIKey of 1-[(2S)-azetidin-2-yl]-N,N-dimethylmethanamine;2,2,2-trifluoroacetic acid?
The InChIKey is SRTIGGAFQUPFTM-RGMNGODLSA-N. The full InChI is InChI=1S/C6H14N2.C2HF3O2/c1-8(2)5-6-3-4-7-6;3-2(4,5)1(6)7/h6-7H,3-5H2,1-2H3;(H,6,7)/t6-;/m0./s1.
What are the key properties of 1-[(2S)-azetidin-2-yl]-N,N-dimethylmethanamine;2,2,2-trifluoroacetic acid?
1-[(2S)-azetidin-2-yl]-N,N-dimethylmethanamine;2,2,2-trifluoroacetic acid has a molecular weight of 228.21 g/mol, XLogP of 0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-azetidin-2-yl]-N,N-dimethylmethanamine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 170906116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).