3,3-difluoro-1-methylazetidine;methoxyethane;hydroiodide

C7H16F2INO — CID 166533168

IUPAC3,3-difluoro-1-methylazetidine;methoxyethane;hydroiodide
SMILESCCOC.CN1CC(F)(F)C1.I
InChIInChI=1S/C4H7F2N.C3H8O.HI/c1-7-2-4(5,6)3-7;1-3-4-2;/h2-3H2,1H3;3H2,1-2H3;1H
InChIKeyMHENQNCXSLEPKI-UHFFFAOYSA-N
MW295.11 g/mol
LogP1.84
Rot. Bonds1

About 3,3-difluoro-1-methylazetidine;methoxyethane;hydroiodide

3,3-difluoro-1-methylazetidine;methoxyethane;hydroiodide (PubChem CID 166533168) has the molecular formula C7H16F2INO and a molecular weight of 295.11 g/mol. Its IUPAC name is 3,3-difluoro-1-methylazetidine;methoxyethane;hydroiodide.

Molecular Properties

Compound Name3,3-difluoro-1-methylazetidine;methoxyethane;hydroiodide
PubChem CID166533168
Molecular FormulaC7H16F2INO
Molecular Weight295.11 g/mol
Exact Mass295.02
IUPAC Name3,3-difluoro-1-methylazetidine;methoxyethane;hydroiodide
SMILESCCOC.CN1CC(F)(F)C1.I
InChIInChI=1S/C4H7F2N.C3H8O.HI/c1-7-2-4(5,6)3-7;1-3-4-2;/h2-3H2,1H3;3H2,1-2H3;1H
InChIKeyMHENQNCXSLEPKI-UHFFFAOYSA-N
XLogP1.84
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.11
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-methylazetidine;methoxyethane;hydroiodide?
The IUPAC name of 3,3-difluoro-1-methylazetidine;methoxyethane;hydroiodide (CID 166533168) is 3,3-difluoro-1-methylazetidine;methoxyethane;hydroiodide.
What is the SMILES notation for 3,3-difluoro-1-methylazetidine;methoxyethane;hydroiodide?
The canonical SMILES for 3,3-difluoro-1-methylazetidine;methoxyethane;hydroiodide is CCOC.CN1CC(F)(F)C1.I.
What is the InChIKey of 3,3-difluoro-1-methylazetidine;methoxyethane;hydroiodide?
The InChIKey is MHENQNCXSLEPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F2N.C3H8O.HI/c1-7-2-4(5,6)3-7;1-3-4-2;/h2-3H2,1H3;3H2,1-2H3;1H.
What are the key properties of 3,3-difluoro-1-methylazetidine;methoxyethane;hydroiodide?
3,3-difluoro-1-methylazetidine;methoxyethane;hydroiodide has a molecular weight of 295.11 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-methylazetidine;methoxyethane;hydroiodide is sourced from PubChem (CID 166533168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).