2-(2,2-difluoropropylamino)ethanol

C5H11F2NO — CID 2758357

IUPAC2-(2,2-difluoropropylamino)ethanol
SMILESCC(F)(F)CNCCO
InChIInChI=1S/C5H11F2NO/c1-5(6,7)4-8-2-3-9/h8-9H,2-4H2,1H3
InChIKeyLAGPFVVEINXXFN-UHFFFAOYSA-N
MW139.14 g/mol
LogP0.22
Rot. Bonds4

About 2-(2,2-difluoropropylamino)ethanol

2-(2,2-difluoropropylamino)ethanol (PubChem CID 2758357) has the molecular formula C5H11F2NO and a molecular weight of 139.14 g/mol. Its IUPAC name is 2-(2,2-difluoropropylamino)ethanol.

Molecular Properties

Compound Name2-(2,2-difluoropropylamino)ethanol
PubChem CID2758357
Molecular FormulaC5H11F2NO
Molecular Weight139.14 g/mol
Exact Mass139.08
IUPAC Name2-(2,2-difluoropropylamino)ethanol
SMILESCC(F)(F)CNCCO
InChIInChI=1S/C5H11F2NO/c1-5(6,7)4-8-2-3-9/h8-9H,2-4H2,1H3
InChIKeyLAGPFVVEINXXFN-UHFFFAOYSA-N
XLogP0.22
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.14
LogP ≤ 50.22
H-Bond Donors ≤ 52
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-(2,2-difluoropropylamino)ethanol?
The IUPAC name of 2-(2,2-difluoropropylamino)ethanol (CID 2758357) is 2-(2,2-difluoropropylamino)ethanol.
What is the SMILES notation for 2-(2,2-difluoropropylamino)ethanol?
The canonical SMILES for 2-(2,2-difluoropropylamino)ethanol is CC(F)(F)CNCCO.
What is the InChIKey of 2-(2,2-difluoropropylamino)ethanol?
The InChIKey is LAGPFVVEINXXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F2NO/c1-5(6,7)4-8-2-3-9/h8-9H,2-4H2,1H3.
What are the key properties of 2-(2,2-difluoropropylamino)ethanol?
2-(2,2-difluoropropylamino)ethanol has a molecular weight of 139.14 g/mol, XLogP of 0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoropropylamino)ethanol is sourced from PubChem (CID 2758357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).