2-fluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-propylacetamide

C8H9F8NO2 — CID 100977963

IUPAC2-fluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-propylacetamide
SMILESCCCNC(=O)C(F)OC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H9F8NO2/c1-2-3-17-5(18)4(9)19-8(15,16)6(10,11)7(12,13)14/h4H,2-3H2,1H3,(H,17,18)
InChIKeyGFLLDXTUEUTUFF-UHFFFAOYSA-N
MW303.15 g/mol
LogP2.62
Rot. Bonds6

About 2-fluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-propylacetamide

2-fluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-propylacetamide (PubChem CID 100977963) has the molecular formula C8H9F8NO2 and a molecular weight of 303.15 g/mol. Its IUPAC name is 2-fluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-propylacetamide.

Molecular Properties

Compound Name2-fluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-propylacetamide
PubChem CID100977963
Molecular FormulaC8H9F8NO2
Molecular Weight303.15 g/mol
Exact Mass303.05
IUPAC Name2-fluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-propylacetamide
SMILESCCCNC(=O)C(F)OC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H9F8NO2/c1-2-3-17-5(18)4(9)19-8(15,16)6(10,11)7(12,13)14/h4H,2-3H2,1H3,(H,17,18)
InChIKeyGFLLDXTUEUTUFF-UHFFFAOYSA-N
XLogP2.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.15
LogP ≤ 52.62
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-fluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-propylacetamide?
The IUPAC name of 2-fluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-propylacetamide (CID 100977963) is 2-fluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-propylacetamide.
What is the SMILES notation for 2-fluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-propylacetamide?
The canonical SMILES for 2-fluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-propylacetamide is CCCNC(=O)C(F)OC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-fluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-propylacetamide?
The InChIKey is GFLLDXTUEUTUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F8NO2/c1-2-3-17-5(18)4(9)19-8(15,16)6(10,11)7(12,13)14/h4H,2-3H2,1H3,(H,17,18).
What are the key properties of 2-fluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-propylacetamide?
2-fluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-propylacetamide has a molecular weight of 303.15 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-propylacetamide is sourced from PubChem (CID 100977963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).