methanidyl-[2,2,2-trifluoro-1-(oxolan-2-yl)ethyl]azanium

C7H12F3NO — CID 155624972

IUPACmethanidyl-[2,2,2-trifluoro-1-(oxolan-2-yl)ethyl]azanium
SMILES[CH2-][NH2+]C(C1CCCO1)C(F)(F)F
InChIInChI=1S/C7H12F3NO/c1-11-6(7(8,9)10)5-3-2-4-12-5/h5-6H,1-4,11H2
InChIKeyYKCAQAYAZMZTTL-UHFFFAOYSA-N
MW183.17 g/mol
LogP0.45
Rot. Bonds2

About methanidyl-[2,2,2-trifluoro-1-(oxolan-2-yl)ethyl]azanium

methanidyl-[2,2,2-trifluoro-1-(oxolan-2-yl)ethyl]azanium (PubChem CID 155624972) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is methanidyl-[2,2,2-trifluoro-1-(oxolan-2-yl)ethyl]azanium.

Molecular Properties

Compound Namemethanidyl-[2,2,2-trifluoro-1-(oxolan-2-yl)ethyl]azanium
PubChem CID155624972
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC Namemethanidyl-[2,2,2-trifluoro-1-(oxolan-2-yl)ethyl]azanium
SMILES[CH2-][NH2+]C(C1CCCO1)C(F)(F)F
InChIInChI=1S/C7H12F3NO/c1-11-6(7(8,9)10)5-3-2-4-12-5/h5-6H,1-4,11H2
InChIKeyYKCAQAYAZMZTTL-UHFFFAOYSA-N
XLogP0.45
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze methanidyl-[2,2,2-trifluoro-1-(oxolan-2-yl)ethyl]azanium 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

Methyl(1-(oxolan-2-yl)ethyl)amine
CID 43534145
2,2-Difluoro-1-(oxolan-2-yl)ethan-1-amine
CID 80606054
2,2,2-Trifluoro-1-(oxolan-2-yl)ethan-1-amine hydrochloride
CID 138110052
[(4,4-Difluorooxolan-2-yl)methyl](methyl)amine
CID 177808931
2-(1,1,1-Trifluoropropan-2-yloxymethyl)pyrrolidine
CID 66274591
2,2,2-Trifluoro-1-(tetrahydrofuran-2-yl)ethan-1-amine
CID 66467484
2,2,2-trifluoro-N-methyl-1-(oxolan-2-yl)ethanamine
CID 66467485
2-(1,1,1,3,3,3-Hexafluoropropan-2-yloxymethyl)pyrrolidine
CID 91802907
4,4-Difluoro-2-(propan-2-yloxymethyl)pyrrolidine
CID 139417849
2-(2,2-Difluoroethylamino)-2-(oxolan-2-yl)ethanol
CID 169181846
4,4-difluoro-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine
CID 171415811
2,2,2-trifluoro-N-[[(2S)-oxolan-2-yl]methyl]ethanamine
CID 28595890

Frequently Asked Questions

What is the IUPAC name of methanidyl-[2,2,2-trifluoro-1-(oxolan-2-yl)ethyl]azanium?
The IUPAC name of methanidyl-[2,2,2-trifluoro-1-(oxolan-2-yl)ethyl]azanium (CID 155624972) is methanidyl-[2,2,2-trifluoro-1-(oxolan-2-yl)ethyl]azanium.
What is the SMILES notation for methanidyl-[2,2,2-trifluoro-1-(oxolan-2-yl)ethyl]azanium?
The canonical SMILES for methanidyl-[2,2,2-trifluoro-1-(oxolan-2-yl)ethyl]azanium is [CH2-][NH2+]C(C1CCCO1)C(F)(F)F.
What is the InChIKey of methanidyl-[2,2,2-trifluoro-1-(oxolan-2-yl)ethyl]azanium?
The InChIKey is YKCAQAYAZMZTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO/c1-11-6(7(8,9)10)5-3-2-4-12-5/h5-6H,1-4,11H2.
What are the key properties of methanidyl-[2,2,2-trifluoro-1-(oxolan-2-yl)ethyl]azanium?
methanidyl-[2,2,2-trifluoro-1-(oxolan-2-yl)ethyl]azanium has a molecular weight of 183.17 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methanidyl-[2,2,2-trifluoro-1-(oxolan-2-yl)ethyl]azanium is sourced from PubChem (CID 155624972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).