3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2R)-2-[2-(trifluoromethoxy)ethyl]cyclopropyl]pyridine;2,2,2-trifluoroacetic acid

C17H20F6N2O4 — CID 73350672

IUPAC3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2R)-2-[2-(trifluoromethoxy)ethyl]cyclopropyl]pyridine;2,2,2-trifluoroacetic acid
SMILESFC(F)(F)OCC[C@H]1C[C@@H]1c1cncc(OC[C@@H]2CCN2)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H19F3N2O2.C2HF3O2/c16-15(17,18)22-4-2-10-6-14(10)11-5-13(8-19-7-11)21-9-12-1-3-20-12;3-2(4,5)1(6)7/h5,7-8,10,12,14,20H,1-4,6,9H2;(H,6,7)/t10-,12-,14-;/m0./s1
InChIKeyQUICBJAOUVXPFA-NPLJWMOXSA-N
MW430.35 g/mol
LogP3.49
Rot. Bonds7

About 3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2R)-2-[2-(trifluoromethoxy)ethyl]cyclopropyl]pyridine;2,2,2-trifluoroacetic acid

3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2R)-2-[2-(trifluoromethoxy)ethyl]cyclopropyl]pyridine;2,2,2-trifluoroacetic acid (PubChem CID 73350672) has the molecular formula C17H20F6N2O4 and a molecular weight of 430.35 g/mol. Its IUPAC name is 3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2R)-2-[2-(trifluoromethoxy)ethyl]cyclopropyl]pyridine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2R)-2-[2-(trifluoromethoxy)ethyl]cyclopropyl]pyridine;2,2,2-trifluoroacetic acid
PubChem CID73350672
Molecular FormulaC17H20F6N2O4
Molecular Weight430.35 g/mol
Exact Mass430.13
IUPAC Name3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2R)-2-[2-(trifluoromethoxy)ethyl]cyclopropyl]pyridine;2,2,2-trifluoroacetic acid
SMILESFC(F)(F)OCC[C@H]1C[C@@H]1c1cncc(OC[C@@H]2CCN2)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H19F3N2O2.C2HF3O2/c16-15(17,18)22-4-2-10-6-14(10)11-5-13(8-19-7-11)21-9-12-1-3-20-12;3-2(4,5)1(6)7/h5,7-8,10,12,14,20H,1-4,6,9H2;(H,6,7)/t10-,12-,14-;/m0./s1
InChIKeyQUICBJAOUVXPFA-NPLJWMOXSA-N
XLogP3.49
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.35
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2R)-2-[2-(trifluoromethoxy)ethyl]cyclopropyl]pyridine;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 3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2R)-2-[2-(trifluoromethoxy)ethyl]cyclopropyl]pyridine;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2R)-2-[2-(trifluoromethoxy)ethyl]cyclopropyl]pyridine;2,2,2-trifluoroacetic acid (CID 73350672) is 3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2R)-2-[2-(trifluoromethoxy)ethyl]cyclopropyl]pyridine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2R)-2-[2-(trifluoromethoxy)ethyl]cyclopropyl]pyridine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2R)-2-[2-(trifluoromethoxy)ethyl]cyclopropyl]pyridine;2,2,2-trifluoroacetic acid is FC(F)(F)OCC[C@H]1C[C@@H]1c1cncc(OC[C@@H]2CCN2)c1.O=C(O)C(F)(F)F.
What is the InChIKey of 3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2R)-2-[2-(trifluoromethoxy)ethyl]cyclopropyl]pyridine;2,2,2-trifluoroacetic acid?
The InChIKey is QUICBJAOUVXPFA-NPLJWMOXSA-N. The full InChI is InChI=1S/C15H19F3N2O2.C2HF3O2/c16-15(17,18)22-4-2-10-6-14(10)11-5-13(8-19-7-11)21-9-12-1-3-20-12;3-2(4,5)1(6)7/h5,7-8,10,12,14,20H,1-4,6,9H2;(H,6,7)/t10-,12-,14-;/m0./s1.
What are the key properties of 3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2R)-2-[2-(trifluoromethoxy)ethyl]cyclopropyl]pyridine;2,2,2-trifluoroacetic acid?
3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2R)-2-[2-(trifluoromethoxy)ethyl]cyclopropyl]pyridine;2,2,2-trifluoroacetic acid has a molecular weight of 430.35 g/mol, XLogP of 3.49, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2R)-2-[2-(trifluoromethoxy)ethyl]cyclopropyl]pyridine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 73350672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).