N,N-dimethylazetidin-3-amine;bis(2,2,2-trifluoroacetic acid)

C9H14F6N2O4 — CID 22636534

IUPACN,N-dimethylazetidin-3-amine;bis(2,2,2-trifluoroacetic acid)
SMILESCN(C)C1CNC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C5H12N2.2C2HF3O2/c1-7(2)5-3-6-4-5;2*3-2(4,5)1(6)7/h5-6H,3-4H2,1-2H3;2*(H,6,7)
InChIKeyTXSXYVGCOLCOPK-UHFFFAOYSA-N
MW328.21 g/mol
LogP0.79
Rot. Bonds1

About N,N-dimethylazetidin-3-amine;bis(2,2,2-trifluoroacetic acid)

N,N-dimethylazetidin-3-amine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 22636534) has the molecular formula C9H14F6N2O4 and a molecular weight of 328.21 g/mol. Its IUPAC name is N,N-dimethylazetidin-3-amine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound NameN,N-dimethylazetidin-3-amine;bis(2,2,2-trifluoroacetic acid)
PubChem CID22636534
Molecular FormulaC9H14F6N2O4
Molecular Weight328.21 g/mol
Exact Mass328.09
IUPAC NameN,N-dimethylazetidin-3-amine;bis(2,2,2-trifluoroacetic acid)
SMILESCN(C)C1CNC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C5H12N2.2C2HF3O2/c1-7(2)5-3-6-4-5;2*3-2(4,5)1(6)7/h5-6H,3-4H2,1-2H3;2*(H,6,7)
InChIKeyTXSXYVGCOLCOPK-UHFFFAOYSA-N
XLogP0.79
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N,N-dimethylazetidin-3-amine;bis(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

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylazetidin-3-amine;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of N,N-dimethylazetidin-3-amine;bis(2,2,2-trifluoroacetic acid) (CID 22636534) is N,N-dimethylazetidin-3-amine;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for N,N-dimethylazetidin-3-amine;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for N,N-dimethylazetidin-3-amine;bis(2,2,2-trifluoroacetic acid) is CN(C)C1CNC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of N,N-dimethylazetidin-3-amine;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is TXSXYVGCOLCOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2.2C2HF3O2/c1-7(2)5-3-6-4-5;2*3-2(4,5)1(6)7/h5-6H,3-4H2,1-2H3;2*(H,6,7).
What are the key properties of N,N-dimethylazetidin-3-amine;bis(2,2,2-trifluoroacetic acid)?
N,N-dimethylazetidin-3-amine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 328.21 g/mol, XLogP of 0.79, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylazetidin-3-amine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 22636534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).