2-(aminomethoxy)-1,1-difluoroethanamine

C3H8F2N2O — CID 90445646

IUPAC2-(aminomethoxy)-1,1-difluoroethanamine
SMILESNCOCC(N)(F)F
InChIInChI=1S/C3H8F2N2O/c4-3(5,7)1-8-2-6/h1-2,6-7H2
InChIKeyFGHGYDPUSAGRMC-UHFFFAOYSA-N
MW126.11 g/mol
LogP-0.53
Rot. Bonds3

About 2-(aminomethoxy)-1,1-difluoroethanamine

2-(aminomethoxy)-1,1-difluoroethanamine (PubChem CID 90445646) has the molecular formula C3H8F2N2O and a molecular weight of 126.11 g/mol. Its IUPAC name is 2-(aminomethoxy)-1,1-difluoroethanamine.

Molecular Properties

Compound Name2-(aminomethoxy)-1,1-difluoroethanamine
PubChem CID90445646
Molecular FormulaC3H8F2N2O
Molecular Weight126.11 g/mol
Exact Mass126.06
IUPAC Name2-(aminomethoxy)-1,1-difluoroethanamine
SMILESNCOCC(N)(F)F
InChIInChI=1S/C3H8F2N2O/c4-3(5,7)1-8-2-6/h1-2,6-7H2
InChIKeyFGHGYDPUSAGRMC-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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethoxy)-1,1-difluoroethanamine?
The IUPAC name of 2-(aminomethoxy)-1,1-difluoroethanamine (CID 90445646) is 2-(aminomethoxy)-1,1-difluoroethanamine.
What is the SMILES notation for 2-(aminomethoxy)-1,1-difluoroethanamine?
The canonical SMILES for 2-(aminomethoxy)-1,1-difluoroethanamine is NCOCC(N)(F)F.
What is the InChIKey of 2-(aminomethoxy)-1,1-difluoroethanamine?
The InChIKey is FGHGYDPUSAGRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8F2N2O/c4-3(5,7)1-8-2-6/h1-2,6-7H2.
What are the key properties of 2-(aminomethoxy)-1,1-difluoroethanamine?
2-(aminomethoxy)-1,1-difluoroethanamine 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-(aminomethoxy)-1,1-difluoroethanamine is sourced from PubChem (CID 90445646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).