2-(ethoxymethyl)-4,4-difluoropyrrolidin-1-amine

C7H14F2N2O — CID 121204146

IUPAC2-(ethoxymethyl)-4,4-difluoropyrrolidin-1-amine
SMILESCCOCC1CC(F)(F)CN1N
InChIInChI=1S/C7H14F2N2O/c1-2-12-4-6-3-7(8,9)5-11(6)10/h6H,2-5,10H2,1H3
InChIKeyTZRDVRVZESLMRO-UHFFFAOYSA-N
MW180.20 g/mol
LogP0.61
Rot. Bonds3

About 2-(ethoxymethyl)-4,4-difluoropyrrolidin-1-amine

2-(ethoxymethyl)-4,4-difluoropyrrolidin-1-amine (PubChem CID 121204146) has the molecular formula C7H14F2N2O and a molecular weight of 180.20 g/mol. Its IUPAC name is 2-(ethoxymethyl)-4,4-difluoropyrrolidin-1-amine.

Molecular Properties

Compound Name2-(ethoxymethyl)-4,4-difluoropyrrolidin-1-amine
PubChem CID121204146
Molecular FormulaC7H14F2N2O
Molecular Weight180.20 g/mol
Exact Mass180.11
IUPAC Name2-(ethoxymethyl)-4,4-difluoropyrrolidin-1-amine
SMILESCCOCC1CC(F)(F)CN1N
InChIInChI=1S/C7H14F2N2O/c1-2-12-4-6-3-7(8,9)5-11(6)10/h6H,2-5,10H2,1H3
InChIKeyTZRDVRVZESLMRO-UHFFFAOYSA-N
XLogP0.61
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-4,4-difluoropyrrolidin-1-amine?
The IUPAC name of 2-(ethoxymethyl)-4,4-difluoropyrrolidin-1-amine (CID 121204146) is 2-(ethoxymethyl)-4,4-difluoropyrrolidin-1-amine.
What is the SMILES notation for 2-(ethoxymethyl)-4,4-difluoropyrrolidin-1-amine?
The canonical SMILES for 2-(ethoxymethyl)-4,4-difluoropyrrolidin-1-amine is CCOCC1CC(F)(F)CN1N.
What is the InChIKey of 2-(ethoxymethyl)-4,4-difluoropyrrolidin-1-amine?
The InChIKey is TZRDVRVZESLMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2N2O/c1-2-12-4-6-3-7(8,9)5-11(6)10/h6H,2-5,10H2,1H3.
What are the key properties of 2-(ethoxymethyl)-4,4-difluoropyrrolidin-1-amine?
2-(ethoxymethyl)-4,4-difluoropyrrolidin-1-amine has a molecular weight of 180.20 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-4,4-difluoropyrrolidin-1-amine is sourced from PubChem (CID 121204146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).