2,2-difluoro-2-(1,1,2,2,2-pentafluoroethoxy)acetamide

C4H2F7NO2 — CID 175910315

IUPAC2,2-difluoro-2-(1,1,2,2,2-pentafluoroethoxy)acetamide
SMILESNC(=O)C(F)(F)OC(F)(F)C(F)(F)F
InChIInChI=1S/C4H2F7NO2/c5-2(6,1(12)13)14-4(10,11)3(7,8)9/h(H2,12,13)
InChIKeyKSKNGNYBARQYFP-UHFFFAOYSA-N
MW229.05 g/mol
LogP1.24
Rot. Bonds3

About 2,2-difluoro-2-(1,1,2,2,2-pentafluoroethoxy)acetamide

2,2-difluoro-2-(1,1,2,2,2-pentafluoroethoxy)acetamide (PubChem CID 175910315) has the molecular formula C4H2F7NO2 and a molecular weight of 229.05 g/mol. Its IUPAC name is 2,2-difluoro-2-(1,1,2,2,2-pentafluoroethoxy)acetamide.

Molecular Properties

Compound Name2,2-difluoro-2-(1,1,2,2,2-pentafluoroethoxy)acetamide
PubChem CID175910315
Molecular FormulaC4H2F7NO2
Molecular Weight229.05 g/mol
Exact Mass229.00
IUPAC Name2,2-difluoro-2-(1,1,2,2,2-pentafluoroethoxy)acetamide
SMILESNC(=O)C(F)(F)OC(F)(F)C(F)(F)F
InChIInChI=1S/C4H2F7NO2/c5-2(6,1(12)13)14-4(10,11)3(7,8)9/h(H2,12,13)
InChIKeyKSKNGNYBARQYFP-UHFFFAOYSA-N
XLogP1.24
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.05
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(1,1,2,2,2-pentafluoroethoxy)acetamide?
The IUPAC name of 2,2-difluoro-2-(1,1,2,2,2-pentafluoroethoxy)acetamide (CID 175910315) is 2,2-difluoro-2-(1,1,2,2,2-pentafluoroethoxy)acetamide.
What is the SMILES notation for 2,2-difluoro-2-(1,1,2,2,2-pentafluoroethoxy)acetamide?
The canonical SMILES for 2,2-difluoro-2-(1,1,2,2,2-pentafluoroethoxy)acetamide is NC(=O)C(F)(F)OC(F)(F)C(F)(F)F.
What is the InChIKey of 2,2-difluoro-2-(1,1,2,2,2-pentafluoroethoxy)acetamide?
The InChIKey is KSKNGNYBARQYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F7NO2/c5-2(6,1(12)13)14-4(10,11)3(7,8)9/h(H2,12,13).
What are the key properties of 2,2-difluoro-2-(1,1,2,2,2-pentafluoroethoxy)acetamide?
2,2-difluoro-2-(1,1,2,2,2-pentafluoroethoxy)acetamide has a molecular weight of 229.05 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(1,1,2,2,2-pentafluoroethoxy)acetamide is sourced from PubChem (CID 175910315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).