2-(difluoromethoxy)-N-methylethanamine;hydrochloride

C4H10ClF2NO — CID 138542985

IUPAC2-(difluoromethoxy)-N-methylethanamine;hydrochloride
SMILESCNCCOC(F)F.Cl
InChIInChI=1S/C4H9F2NO.ClH/c1-7-2-3-8-4(5)6;/h4,7H,2-3H2,1H3;1H
InChIKeyVMVLAMRSJKVVTK-UHFFFAOYSA-N
MW161.58 g/mol
LogP0.87
Rot. Bonds4

About 2-(difluoromethoxy)-N-methylethanamine;hydrochloride

2-(difluoromethoxy)-N-methylethanamine;hydrochloride (PubChem CID 138542985) has the molecular formula C4H10ClF2NO and a molecular weight of 161.58 g/mol. Its IUPAC name is 2-(difluoromethoxy)-N-methylethanamine;hydrochloride.

Molecular Properties

Compound Name2-(difluoromethoxy)-N-methylethanamine;hydrochloride
PubChem CID138542985
Molecular FormulaC4H10ClF2NO
Molecular Weight161.58 g/mol
Exact Mass161.04
IUPAC Name2-(difluoromethoxy)-N-methylethanamine;hydrochloride
SMILESCNCCOC(F)F.Cl
InChIInChI=1S/C4H9F2NO.ClH/c1-7-2-3-8-4(5)6;/h4,7H,2-3H2,1H3;1H
InChIKeyVMVLAMRSJKVVTK-UHFFFAOYSA-N
XLogP0.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.58
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-N-methylethanamine;hydrochloride?
The IUPAC name of 2-(difluoromethoxy)-N-methylethanamine;hydrochloride (CID 138542985) is 2-(difluoromethoxy)-N-methylethanamine;hydrochloride.
What is the SMILES notation for 2-(difluoromethoxy)-N-methylethanamine;hydrochloride?
The canonical SMILES for 2-(difluoromethoxy)-N-methylethanamine;hydrochloride is CNCCOC(F)F.Cl.
What is the InChIKey of 2-(difluoromethoxy)-N-methylethanamine;hydrochloride?
The InChIKey is VMVLAMRSJKVVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9F2NO.ClH/c1-7-2-3-8-4(5)6;/h4,7H,2-3H2,1H3;1H.
What are the key properties of 2-(difluoromethoxy)-N-methylethanamine;hydrochloride?
2-(difluoromethoxy)-N-methylethanamine;hydrochloride has a molecular weight of 161.58 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-N-methylethanamine;hydrochloride is sourced from PubChem (CID 138542985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).