2-[2-(2,2-difluoroethoxy)ethylamino]-N-propylpropanamide

C10H20F2N2O2 — CID 103080621

IUPAC2-[2-(2,2-difluoroethoxy)ethylamino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NCCOCC(F)F
InChIInChI=1S/C10H20F2N2O2/c1-3-4-14-10(15)8(2)13-5-6-16-7-9(11)12/h8-9,13H,3-7H2,1-2H3,(H,14,15)
InChIKeyQRHLZHJJZSWXBJ-UHFFFAOYSA-N
MW238.28 g/mol
LogP0.77
Rot. Bonds9

About 2-[2-(2,2-difluoroethoxy)ethylamino]-N-propylpropanamide

2-[2-(2,2-difluoroethoxy)ethylamino]-N-propylpropanamide (PubChem CID 103080621) has the molecular formula C10H20F2N2O2 and a molecular weight of 238.28 g/mol. Its IUPAC name is 2-[2-(2,2-difluoroethoxy)ethylamino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[2-(2,2-difluoroethoxy)ethylamino]-N-propylpropanamide
PubChem CID103080621
Molecular FormulaC10H20F2N2O2
Molecular Weight238.28 g/mol
Exact Mass238.15
IUPAC Name2-[2-(2,2-difluoroethoxy)ethylamino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NCCOCC(F)F
InChIInChI=1S/C10H20F2N2O2/c1-3-4-14-10(15)8(2)13-5-6-16-7-9(11)12/h8-9,13H,3-7H2,1-2H3,(H,14,15)
InChIKeyQRHLZHJJZSWXBJ-UHFFFAOYSA-N
XLogP0.77
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(2,2-difluoroethoxy)ethylamino]-N-propylpropanamide?
The IUPAC name of 2-[2-(2,2-difluoroethoxy)ethylamino]-N-propylpropanamide (CID 103080621) is 2-[2-(2,2-difluoroethoxy)ethylamino]-N-propylpropanamide.
What is the SMILES notation for 2-[2-(2,2-difluoroethoxy)ethylamino]-N-propylpropanamide?
The canonical SMILES for 2-[2-(2,2-difluoroethoxy)ethylamino]-N-propylpropanamide is CCCNC(=O)C(C)NCCOCC(F)F.
What is the InChIKey of 2-[2-(2,2-difluoroethoxy)ethylamino]-N-propylpropanamide?
The InChIKey is QRHLZHJJZSWXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F2N2O2/c1-3-4-14-10(15)8(2)13-5-6-16-7-9(11)12/h8-9,13H,3-7H2,1-2H3,(H,14,15).
What are the key properties of 2-[2-(2,2-difluoroethoxy)ethylamino]-N-propylpropanamide?
2-[2-(2,2-difluoroethoxy)ethylamino]-N-propylpropanamide has a molecular weight of 238.28 g/mol, XLogP of 0.77, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2-difluoroethoxy)ethylamino]-N-propylpropanamide is sourced from PubChem (CID 103080621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).