N-cyclopropyl-2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)acetamide

C9H6F9NO2 — CID 3113537

IUPACN-cyclopropyl-2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)acetamide
SMILESO=C(NC1CC1)C(F)(F)C1(F)OC(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C9H6F9NO2/c10-5(11,4(20)19-3-1-2-3)8(16)6(12,13)7(14,15)9(17,18)21-8/h3H,1-2H2,(H,19,20)
InChIKeyRMYUJQAOKJGKRS-UHFFFAOYSA-N
MW331.13 g/mol
LogP2.46
Rot. Bonds3

About N-cyclopropyl-2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)acetamide

N-cyclopropyl-2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)acetamide (PubChem CID 3113537) has the molecular formula C9H6F9NO2 and a molecular weight of 331.13 g/mol. Its IUPAC name is N-cyclopropyl-2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)acetamide
PubChem CID3113537
Molecular FormulaC9H6F9NO2
Molecular Weight331.13 g/mol
Exact Mass331.03
IUPAC NameN-cyclopropyl-2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)acetamide
SMILESO=C(NC1CC1)C(F)(F)C1(F)OC(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C9H6F9NO2/c10-5(11,4(20)19-3-1-2-3)8(16)6(12,13)7(14,15)9(17,18)21-8/h3H,1-2H2,(H,19,20)
InChIKeyRMYUJQAOKJGKRS-UHFFFAOYSA-N
XLogP2.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.13
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-cyclopropyl-2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)acetamide?
The IUPAC name of N-cyclopropyl-2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)acetamide (CID 3113537) is N-cyclopropyl-2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)acetamide.
What is the SMILES notation for N-cyclopropyl-2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)acetamide?
The canonical SMILES for N-cyclopropyl-2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)acetamide is O=C(NC1CC1)C(F)(F)C1(F)OC(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of N-cyclopropyl-2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)acetamide?
The InChIKey is RMYUJQAOKJGKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F9NO2/c10-5(11,4(20)19-3-1-2-3)8(16)6(12,13)7(14,15)9(17,18)21-8/h3H,1-2H2,(H,19,20).
What are the key properties of N-cyclopropyl-2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)acetamide?
N-cyclopropyl-2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)acetamide has a molecular weight of 331.13 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)acetamide is sourced from PubChem (CID 3113537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).