4-ethoxy-1,1,1-trifluoro-2-methanidylbutane;rutherfordium

C7H12F3ORf- — CID 58219982

IUPAC4-ethoxy-1,1,1-trifluoro-2-methanidylbutane;rutherfordium
SMILES[CH2-]C(CCOCC)C(F)(F)F.[Rf]
InChIInChI=1S/C7H12F3O.Rf/c1-3-11-5-4-6(2)7(8,9)10;/h6H,2-5H2,1H3;/q-1;
InChIKeyGDXHTZGRKWXMBB-UHFFFAOYSA-N
MW436.17 g/mol
LogP2.43
Rot. Bonds4

About 4-ethoxy-1,1,1-trifluoro-2-methanidylbutane;rutherfordium

4-ethoxy-1,1,1-trifluoro-2-methanidylbutane;rutherfordium (PubChem CID 58219982) has the molecular formula C7H12F3ORf- and a molecular weight of 436.17 g/mol. Its IUPAC name is 4-ethoxy-1,1,1-trifluoro-2-methanidylbutane;rutherfordium.

Molecular Properties

Compound Name4-ethoxy-1,1,1-trifluoro-2-methanidylbutane;rutherfordium
PubChem CID58219982
Molecular FormulaC7H12F3ORf-
Molecular Weight436.17 g/mol
Exact Mass436.21
IUPAC Name4-ethoxy-1,1,1-trifluoro-2-methanidylbutane;rutherfordium
SMILES[CH2-]C(CCOCC)C(F)(F)F.[Rf]
InChIInChI=1S/C7H12F3O.Rf/c1-3-11-5-4-6(2)7(8,9)10;/h6H,2-5H2,1H3;/q-1;
InChIKeyGDXHTZGRKWXMBB-UHFFFAOYSA-N
XLogP2.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.17
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-ethoxy-1,1,1-trifluoro-2-methanidylbutane;rutherfordium 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-(2,2,3,3-Tetrafluoropropyloxy)-2-methylpropane
CID 90992962
1-(2,2,3,3-Tetrafluoropropyloxy)-3-methylbutane
CID 129766049
Butyl 2,2-difluoropropyl ether
CID 15062441
4-Ethoxy-1,2,2-trifluoro-3-methylbutane
CID 15507745
2-Methyl-1-(2,2,2-trifluoroethoxy)propane
CID 12095509
Butyl(2,2,2-trifluoroethyl) ether
CID 14024098
1,3-Difluoro-2-(3-fluorobutoxymethyl)butane
CID 18335869
4-Ethoxy-1,1,1,2,3,3-hexafluoro-2-(trifluoromethyl)butane
CID 19063479
1,1,1-Trifluoro-4-methoxy-2-(methoxymethyl)butane
CID 20641211
1,2-Difluoro-2-(3-fluoropropoxymethyl)butane
CID 20676458
1,1,1-Trifluoro-3-methoxy-2-methylpropane
CID 20746379
2-Methyl-1-(2,2,3,3,3-pentafluoropropoxy)butane
CID 20793147

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1,1,1-trifluoro-2-methanidylbutane;rutherfordium?
The IUPAC name of 4-ethoxy-1,1,1-trifluoro-2-methanidylbutane;rutherfordium (CID 58219982) is 4-ethoxy-1,1,1-trifluoro-2-methanidylbutane;rutherfordium.
What is the SMILES notation for 4-ethoxy-1,1,1-trifluoro-2-methanidylbutane;rutherfordium?
The canonical SMILES for 4-ethoxy-1,1,1-trifluoro-2-methanidylbutane;rutherfordium is [CH2-]C(CCOCC)C(F)(F)F.[Rf].
What is the InChIKey of 4-ethoxy-1,1,1-trifluoro-2-methanidylbutane;rutherfordium?
The InChIKey is GDXHTZGRKWXMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3O.Rf/c1-3-11-5-4-6(2)7(8,9)10;/h6H,2-5H2,1H3;/q-1;.
What are the key properties of 4-ethoxy-1,1,1-trifluoro-2-methanidylbutane;rutherfordium?
4-ethoxy-1,1,1-trifluoro-2-methanidylbutane;rutherfordium has a molecular weight of 436.17 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1,1,1-trifluoro-2-methanidylbutane;rutherfordium is sourced from PubChem (CID 58219982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).