1-(1-amino-3-methyliminoprop-1-en-2-yl)-3-(trifluoromethyl)azetidin-3-ol

C8H12F3N3O — CID 174092499

IUPAC1-(1-amino-3-methyliminoprop-1-en-2-yl)-3-(trifluoromethyl)azetidin-3-ol
SMILESC/N=C/C(=CN)N1CC(O)(C(F)(F)F)C1
InChIInChI=1S/C8H12F3N3O/c1-13-3-6(2-12)14-4-7(15,5-14)8(9,10)11/h2-3,15H,4-5,12H2,1H3/b6-2?,13-3+
InChIKeyJAOMVIWVSOLWRV-GCSBZCNFSA-N
MW223.20 g/mol
LogP0.10
Rot. Bonds2

About 1-(1-amino-3-methyliminoprop-1-en-2-yl)-3-(trifluoromethyl)azetidin-3-ol

1-(1-amino-3-methyliminoprop-1-en-2-yl)-3-(trifluoromethyl)azetidin-3-ol (PubChem CID 174092499) has the molecular formula C8H12F3N3O and a molecular weight of 223.20 g/mol. Its IUPAC name is 1-(1-amino-3-methyliminoprop-1-en-2-yl)-3-(trifluoromethyl)azetidin-3-ol.

Molecular Properties

Compound Name1-(1-amino-3-methyliminoprop-1-en-2-yl)-3-(trifluoromethyl)azetidin-3-ol
PubChem CID174092499
Molecular FormulaC8H12F3N3O
Molecular Weight223.20 g/mol
Exact Mass223.09
IUPAC Name1-(1-amino-3-methyliminoprop-1-en-2-yl)-3-(trifluoromethyl)azetidin-3-ol
SMILESC/N=C/C(=CN)N1CC(O)(C(F)(F)F)C1
InChIInChI=1S/C8H12F3N3O/c1-13-3-6(2-12)14-4-7(15,5-14)8(9,10)11/h2-3,15H,4-5,12H2,1H3/b6-2?,13-3+
InChIKeyJAOMVIWVSOLWRV-GCSBZCNFSA-N
XLogP0.10
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-amino-3-methyliminoprop-1-en-2-yl)-3-(trifluoromethyl)azetidin-3-ol?
The IUPAC name of 1-(1-amino-3-methyliminoprop-1-en-2-yl)-3-(trifluoromethyl)azetidin-3-ol (CID 174092499) is 1-(1-amino-3-methyliminoprop-1-en-2-yl)-3-(trifluoromethyl)azetidin-3-ol.
What is the SMILES notation for 1-(1-amino-3-methyliminoprop-1-en-2-yl)-3-(trifluoromethyl)azetidin-3-ol?
The canonical SMILES for 1-(1-amino-3-methyliminoprop-1-en-2-yl)-3-(trifluoromethyl)azetidin-3-ol is C/N=C/C(=CN)N1CC(O)(C(F)(F)F)C1.
What is the InChIKey of 1-(1-amino-3-methyliminoprop-1-en-2-yl)-3-(trifluoromethyl)azetidin-3-ol?
The InChIKey is JAOMVIWVSOLWRV-GCSBZCNFSA-N. The full InChI is InChI=1S/C8H12F3N3O/c1-13-3-6(2-12)14-4-7(15,5-14)8(9,10)11/h2-3,15H,4-5,12H2,1H3/b6-2?,13-3+.
What are the key properties of 1-(1-amino-3-methyliminoprop-1-en-2-yl)-3-(trifluoromethyl)azetidin-3-ol?
1-(1-amino-3-methyliminoprop-1-en-2-yl)-3-(trifluoromethyl)azetidin-3-ol has a molecular weight of 223.20 g/mol, XLogP of 0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-amino-3-methyliminoprop-1-en-2-yl)-3-(trifluoromethyl)azetidin-3-ol is sourced from PubChem (CID 174092499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).