N-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-N-propylprop-2-enamide

C11H12F9NO — CID 59464920

IUPACN-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-N-propylprop-2-enamide
SMILESC=CC(=O)N(CCC)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H12F9NO/c1-3-5-21(7(22)4-2)6-8(12,13)9(14,15)10(16,17)11(18,19)20/h4H,2-3,5-6H2,1H3
InChIKeyDLUWOVWIILNQJY-UHFFFAOYSA-N
MW345.21 g/mol
LogP3.88
Rot. Bonds7

About N-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-N-propylprop-2-enamide

N-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-N-propylprop-2-enamide (PubChem CID 59464920) has the molecular formula C11H12F9NO and a molecular weight of 345.21 g/mol. Its IUPAC name is N-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-N-propylprop-2-enamide.

Molecular Properties

Compound NameN-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-N-propylprop-2-enamide
PubChem CID59464920
Molecular FormulaC11H12F9NO
Molecular Weight345.21 g/mol
Exact Mass345.08
IUPAC NameN-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-N-propylprop-2-enamide
SMILESC=CC(=O)N(CCC)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H12F9NO/c1-3-5-21(7(22)4-2)6-8(12,13)9(14,15)10(16,17)11(18,19)20/h4H,2-3,5-6H2,1H3
InChIKeyDLUWOVWIILNQJY-UHFFFAOYSA-N
XLogP3.88
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.21
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-N-propylprop-2-enamide?
The IUPAC name of N-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-N-propylprop-2-enamide (CID 59464920) is N-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-N-propylprop-2-enamide.
What is the SMILES notation for N-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-N-propylprop-2-enamide?
The canonical SMILES for N-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-N-propylprop-2-enamide is C=CC(=O)N(CCC)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-N-propylprop-2-enamide?
The InChIKey is DLUWOVWIILNQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F9NO/c1-3-5-21(7(22)4-2)6-8(12,13)9(14,15)10(16,17)11(18,19)20/h4H,2-3,5-6H2,1H3.
What are the key properties of N-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-N-propylprop-2-enamide?
N-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-N-propylprop-2-enamide has a molecular weight of 345.21 g/mol, XLogP of 3.88, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-N-propylprop-2-enamide is sourced from PubChem (CID 59464920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).