N-(2,2-difluoroethoxy)propanamide

C5H9F2NO2 — CID 131155465

IUPACN-(2,2-difluoroethoxy)propanamide
SMILESCCC(=O)NOCC(F)F
InChIInChI=1S/C5H9F2NO2/c1-2-5(9)8-10-3-4(6)7/h4H,2-3H2,1H3,(H,8,9)
InChIKeyQTKNLSCUECEOJJ-UHFFFAOYSA-N
MW153.13 g/mol
LogP0.71
Rot. Bonds4

About N-(2,2-difluoroethoxy)propanamide

N-(2,2-difluoroethoxy)propanamide (PubChem CID 131155465) has the molecular formula C5H9F2NO2 and a molecular weight of 153.13 g/mol. Its IUPAC name is N-(2,2-difluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(2,2-difluoroethoxy)propanamide
PubChem CID131155465
Molecular FormulaC5H9F2NO2
Molecular Weight153.13 g/mol
Exact Mass153.06
IUPAC NameN-(2,2-difluoroethoxy)propanamide
SMILESCCC(=O)NOCC(F)F
InChIInChI=1S/C5H9F2NO2/c1-2-5(9)8-10-3-4(6)7/h4H,2-3H2,1H3,(H,8,9)
InChIKeyQTKNLSCUECEOJJ-UHFFFAOYSA-N
XLogP0.71
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.13
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-ethoxy-2,2,2-trifluoroacetamide
CID 62492516
N-(2,2,2-trifluoroethoxy)propanamide
CID 81339817
N-(difluoromethoxy)propanamide
CID 87581787
N-ethoxy-2,2-difluoroacetamide
CID 103610610
N-(2,2-difluoroethoxy)acetamide
CID 130471289
N-(2,2-difluoroethoxy)-2-methylpropanamide
CID 131208584
N-(trifluoromethoxy)propanamide
CID 137366054
2,2-dimethyl-N-(trifluoromethoxy)propanamide
CID 140367301
N-(2-fluoroethoxy)acetamide
CID 168951327
N-ethoxy-2-fluoroacetamide
CID 174477015
N-(2-fluoroethoxy)-2-methylpropanamide
CID 176646726
N-(3,3-difluorocyclobutyl)oxypropanamide
CID 178600688

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethoxy)propanamide?
The IUPAC name of N-(2,2-difluoroethoxy)propanamide (CID 131155465) is N-(2,2-difluoroethoxy)propanamide.
What is the SMILES notation for N-(2,2-difluoroethoxy)propanamide?
The canonical SMILES for N-(2,2-difluoroethoxy)propanamide is CCC(=O)NOCC(F)F.
What is the InChIKey of N-(2,2-difluoroethoxy)propanamide?
The InChIKey is QTKNLSCUECEOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2NO2/c1-2-5(9)8-10-3-4(6)7/h4H,2-3H2,1H3,(H,8,9).
What are the key properties of N-(2,2-difluoroethoxy)propanamide?
N-(2,2-difluoroethoxy)propanamide has a molecular weight of 153.13 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethoxy)propanamide is sourced from PubChem (CID 131155465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).