N,2-dimethyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)prop-2-enamide

C11H12F9NO — CID 21020714

IUPACN,2-dimethyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)prop-2-enamide
SMILESC=C(C)C(=O)N(C)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H12F9NO/c1-6(2)7(22)21(3)5-4-8(12,13)9(14,15)10(16,17)11(18,19)20/h1,4-5H2,2-3H3
InChIKeyCEPOJBPZYXLZLW-UHFFFAOYSA-N
MW345.21 g/mol
LogP3.88
Rot. Bonds6

About N,2-dimethyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)prop-2-enamide

N,2-dimethyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)prop-2-enamide (PubChem CID 21020714) has the molecular formula C11H12F9NO and a molecular weight of 345.21 g/mol. Its IUPAC name is N,2-dimethyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)prop-2-enamide.

Molecular Properties

Compound NameN,2-dimethyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)prop-2-enamide
PubChem CID21020714
Molecular FormulaC11H12F9NO
Molecular Weight345.21 g/mol
Exact Mass345.08
IUPAC NameN,2-dimethyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)prop-2-enamide
SMILESC=C(C)C(=O)N(C)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H12F9NO/c1-6(2)7(22)21(3)5-4-8(12,13)9(14,15)10(16,17)11(18,19)20/h1,4-5H2,2-3H3
InChIKeyCEPOJBPZYXLZLW-UHFFFAOYSA-N
XLogP3.88
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
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'}

Analyze N,2-dimethyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)prop-2-enamide 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,2-dimethyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)prop-2-enamide?
The IUPAC name of N,2-dimethyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)prop-2-enamide (CID 21020714) is N,2-dimethyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)prop-2-enamide.
What is the SMILES notation for N,2-dimethyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)prop-2-enamide?
The canonical SMILES for N,2-dimethyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)prop-2-enamide is C=C(C)C(=O)N(C)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N,2-dimethyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)prop-2-enamide?
The InChIKey is CEPOJBPZYXLZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F9NO/c1-6(2)7(22)21(3)5-4-8(12,13)9(14,15)10(16,17)11(18,19)20/h1,4-5H2,2-3H3.
What are the key properties of N,2-dimethyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)prop-2-enamide?
N,2-dimethyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)prop-2-enamide has a molecular weight of 345.21 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)prop-2-enamide is sourced from PubChem (CID 21020714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).