2-[amino(difluoro)methoxy]ethanamine

C3H8F2N2O — CID 90445644

IUPAC2-[amino(difluoro)methoxy]ethanamine
SMILESNCCOC(N)(F)F
InChIInChI=1S/C3H8F2N2O/c4-3(5,7)8-2-1-6/h1-2,6-7H2
InChIKeyLNYONMUXIMFPIL-UHFFFAOYSA-N
MW126.11 g/mol
LogP-0.53
Rot. Bonds3

About 2-[amino(difluoro)methoxy]ethanamine

2-[amino(difluoro)methoxy]ethanamine (PubChem CID 90445644) has the molecular formula C3H8F2N2O and a molecular weight of 126.11 g/mol. Its IUPAC name is 2-[amino(difluoro)methoxy]ethanamine.

Molecular Properties

Compound Name2-[amino(difluoro)methoxy]ethanamine
PubChem CID90445644
Molecular FormulaC3H8F2N2O
Molecular Weight126.11 g/mol
Exact Mass126.06
IUPAC Name2-[amino(difluoro)methoxy]ethanamine
SMILESNCCOC(N)(F)F
InChIInChI=1S/C3H8F2N2O/c4-3(5,7)8-2-1-6/h1-2,6-7H2
InChIKeyLNYONMUXIMFPIL-UHFFFAOYSA-N
XLogP-0.53
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.11
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 2-[amino(difluoro)methoxy]ethanamine 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

2-(Difluoromethoxy)ethan-1-amine
CID 84715994
2-(Difluoromethoxy)ethan-1-amine hydrochloride
CID 122446091
2-(Trifluoromethoxy)ethanamine
CID 10558645
2-(Aminomethoxy)-1,1-difluoroethanamine
CID 90445646
2-(Difluoromethoxy)ethane-1,1-diamine
CID 134422080
2-(Difluoromethoxy)ethylazanium;chloride
CID 137379967
2-(Trifluoromethoxy)ethylazanium
CID 23236943
2-[Difluoro-(fluoroamino)methoxy]ethanamine
CID 133673588
2-(Aminomethoxy)ethanamine
CID 60125193

Frequently Asked Questions

What is the IUPAC name of 2-[amino(difluoro)methoxy]ethanamine?
The IUPAC name of 2-[amino(difluoro)methoxy]ethanamine (CID 90445644) is 2-[amino(difluoro)methoxy]ethanamine.
What is the SMILES notation for 2-[amino(difluoro)methoxy]ethanamine?
The canonical SMILES for 2-[amino(difluoro)methoxy]ethanamine is NCCOC(N)(F)F.
What is the InChIKey of 2-[amino(difluoro)methoxy]ethanamine?
The InChIKey is LNYONMUXIMFPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8F2N2O/c4-3(5,7)8-2-1-6/h1-2,6-7H2.
What are the key properties of 2-[amino(difluoro)methoxy]ethanamine?
2-[amino(difluoro)methoxy]ethanamine has a molecular weight of 126.11 g/mol, XLogP of -0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino(difluoro)methoxy]ethanamine is sourced from PubChem (CID 90445644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).