2,2-difluoro-N-(2-hydroxyethyl)-3-(2-hydroxyethylamino)propanamide

C7H14F2N2O3 — CID 2758287

IUPAC2,2-difluoro-N-(2-hydroxyethyl)-3-(2-hydroxyethylamino)propanamide
SMILESO=C(NCCO)C(F)(F)CNCCO
InChIInChI=1S/C7H14F2N2O3/c8-7(9,5-10-1-3-12)6(14)11-2-4-13/h10,12-13H,1-5H2,(H,11,14)
InChIKeyJMVFHRLIJGUDEU-UHFFFAOYSA-N
MW212.20 g/mol
LogP-1.69
Rot. Bonds7

About 2,2-difluoro-N-(2-hydroxyethyl)-3-(2-hydroxyethylamino)propanamide

2,2-difluoro-N-(2-hydroxyethyl)-3-(2-hydroxyethylamino)propanamide (PubChem CID 2758287) has the molecular formula C7H14F2N2O3 and a molecular weight of 212.20 g/mol. Its IUPAC name is 2,2-difluoro-N-(2-hydroxyethyl)-3-(2-hydroxyethylamino)propanamide.

Molecular Properties

Compound Name2,2-difluoro-N-(2-hydroxyethyl)-3-(2-hydroxyethylamino)propanamide
PubChem CID2758287
Molecular FormulaC7H14F2N2O3
Molecular Weight212.20 g/mol
Exact Mass212.10
IUPAC Name2,2-difluoro-N-(2-hydroxyethyl)-3-(2-hydroxyethylamino)propanamide
SMILESO=C(NCCO)C(F)(F)CNCCO
InChIInChI=1S/C7H14F2N2O3/c8-7(9,5-10-1-3-12)6(14)11-2-4-13/h10,12-13H,1-5H2,(H,11,14)
InChIKeyJMVFHRLIJGUDEU-UHFFFAOYSA-N
XLogP-1.69
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 5-1.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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-difluoro-N-(2-hydroxyethyl)-3-(2-hydroxyethylamino)propanamide?
The IUPAC name of 2,2-difluoro-N-(2-hydroxyethyl)-3-(2-hydroxyethylamino)propanamide (CID 2758287) is 2,2-difluoro-N-(2-hydroxyethyl)-3-(2-hydroxyethylamino)propanamide.
What is the SMILES notation for 2,2-difluoro-N-(2-hydroxyethyl)-3-(2-hydroxyethylamino)propanamide?
The canonical SMILES for 2,2-difluoro-N-(2-hydroxyethyl)-3-(2-hydroxyethylamino)propanamide is O=C(NCCO)C(F)(F)CNCCO.
What is the InChIKey of 2,2-difluoro-N-(2-hydroxyethyl)-3-(2-hydroxyethylamino)propanamide?
The InChIKey is JMVFHRLIJGUDEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2N2O3/c8-7(9,5-10-1-3-12)6(14)11-2-4-13/h10,12-13H,1-5H2,(H,11,14).
What are the key properties of 2,2-difluoro-N-(2-hydroxyethyl)-3-(2-hydroxyethylamino)propanamide?
2,2-difluoro-N-(2-hydroxyethyl)-3-(2-hydroxyethylamino)propanamide has a molecular weight of 212.20 g/mol, XLogP of -1.69, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-(2-hydroxyethyl)-3-(2-hydroxyethylamino)propanamide is sourced from PubChem (CID 2758287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).