2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-prop-2-enylacetamide

C8H8F7NO2 — CID 58057340

IUPAC2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)COC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H8F7NO2/c1-2-3-16-5(17)4-18-8(14,15)6(9,10)7(11,12)13/h2H,1,3-4H2,(H,16,17)
InChIKeyJICXRPKQCYGQLB-UHFFFAOYSA-N
MW283.14 g/mol
LogP2.10
Rot. Bonds6

About 2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-prop-2-enylacetamide

2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-prop-2-enylacetamide (PubChem CID 58057340) has the molecular formula C8H8F7NO2 and a molecular weight of 283.14 g/mol. Its IUPAC name is 2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-prop-2-enylacetamide
PubChem CID58057340
Molecular FormulaC8H8F7NO2
Molecular Weight283.14 g/mol
Exact Mass283.04
IUPAC Name2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)COC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H8F7NO2/c1-2-3-16-5(17)4-18-8(14,15)6(9,10)7(11,12)13/h2H,1,3-4H2,(H,16,17)
InChIKeyJICXRPKQCYGQLB-UHFFFAOYSA-N
XLogP2.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.14
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-prop-2-enylacetamide 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 2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-prop-2-enylacetamide?
The IUPAC name of 2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-prop-2-enylacetamide (CID 58057340) is 2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-prop-2-enylacetamide?
The canonical SMILES for 2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-prop-2-enylacetamide is C=CCNC(=O)COC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-prop-2-enylacetamide?
The InChIKey is JICXRPKQCYGQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F7NO2/c1-2-3-16-5(17)4-18-8(14,15)6(9,10)7(11,12)13/h2H,1,3-4H2,(H,16,17).
What are the key properties of 2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-prop-2-enylacetamide?
2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-prop-2-enylacetamide has a molecular weight of 283.14 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-prop-2-enylacetamide is sourced from PubChem (CID 58057340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).