2-(1,1-difluorobut-3-enoxy)ethanamine

C6H11F2NO — CID 166928109

IUPAC2-(1,1-difluorobut-3-enoxy)ethanamine
SMILESC=CCC(F)(F)OCCN
InChIInChI=1S/C6H11F2NO/c1-2-3-6(7,8)10-5-4-9/h2H,1,3-5,9H2
InChIKeyQBFYBQDWZXJQCO-UHFFFAOYSA-N
MW151.16 g/mol
LogP1.13
Rot. Bonds5

About 2-(1,1-difluorobut-3-enoxy)ethanamine

2-(1,1-difluorobut-3-enoxy)ethanamine (PubChem CID 166928109) has the molecular formula C6H11F2NO and a molecular weight of 151.16 g/mol. Its IUPAC name is 2-(1,1-difluorobut-3-enoxy)ethanamine.

Molecular Properties

Compound Name2-(1,1-difluorobut-3-enoxy)ethanamine
PubChem CID166928109
Molecular FormulaC6H11F2NO
Molecular Weight151.16 g/mol
Exact Mass151.08
IUPAC Name2-(1,1-difluorobut-3-enoxy)ethanamine
SMILESC=CCC(F)(F)OCCN
InChIInChI=1S/C6H11F2NO/c1-2-3-6(7,8)10-5-4-9/h2H,1,3-5,9H2
InChIKeyQBFYBQDWZXJQCO-UHFFFAOYSA-N
XLogP1.13
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluorobut-3-enoxy)ethanamine?
The IUPAC name of 2-(1,1-difluorobut-3-enoxy)ethanamine (CID 166928109) is 2-(1,1-difluorobut-3-enoxy)ethanamine.
What is the SMILES notation for 2-(1,1-difluorobut-3-enoxy)ethanamine?
The canonical SMILES for 2-(1,1-difluorobut-3-enoxy)ethanamine is C=CCC(F)(F)OCCN.
What is the InChIKey of 2-(1,1-difluorobut-3-enoxy)ethanamine?
The InChIKey is QBFYBQDWZXJQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO/c1-2-3-6(7,8)10-5-4-9/h2H,1,3-5,9H2.
What are the key properties of 2-(1,1-difluorobut-3-enoxy)ethanamine?
2-(1,1-difluorobut-3-enoxy)ethanamine has a molecular weight of 151.16 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluorobut-3-enoxy)ethanamine is sourced from PubChem (CID 166928109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).