2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-propyloctanamide

C11H8F15NO — CID 12633186

IUPAC2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-propyloctanamide
SMILESCCCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H8F15NO/c1-2-3-27-4(28)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)26/h2-3H2,1H3,(H,27,28)
InChIKeyIICRIFBPEINZKJ-UHFFFAOYSA-N
MW455.16 g/mol
LogP4.89
Rot. Bonds8

About 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-propyloctanamide

2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-propyloctanamide (PubChem CID 12633186) has the molecular formula C11H8F15NO and a molecular weight of 455.16 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-propyloctanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-propyloctanamide
PubChem CID12633186
Molecular FormulaC11H8F15NO
Molecular Weight455.16 g/mol
Exact Mass455.04
IUPAC Name2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-propyloctanamide
SMILESCCCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H8F15NO/c1-2-3-27-4(28)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)26/h2-3H2,1H3,(H,27,28)
InChIKeyIICRIFBPEINZKJ-UHFFFAOYSA-N
XLogP4.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.16
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-propyloctanamide?
The IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-propyloctanamide (CID 12633186) is 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-propyloctanamide.
What is the SMILES notation for 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-propyloctanamide?
The canonical SMILES for 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-propyloctanamide is CCCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-propyloctanamide?
The InChIKey is IICRIFBPEINZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F15NO/c1-2-3-27-4(28)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)26/h2-3H2,1H3,(H,27,28).
What are the key properties of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-propyloctanamide?
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-propyloctanamide has a molecular weight of 455.16 g/mol, XLogP of 4.89, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-propyloctanamide is sourced from PubChem (CID 12633186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).