N-butyl-N-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)prop-2-enamide

C12H14F9NO — CID 59464922

IUPACN-butyl-N-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)prop-2-enamide
SMILESC=CC(=O)N(CCCC)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H14F9NO/c1-3-5-6-22(8(23)4-2)7-9(13,14)10(15,16)11(17,18)12(19,20)21/h4H,2-3,5-7H2,1H3
InChIKeyYDLIRFGQYDDUMK-UHFFFAOYSA-N
MW359.23 g/mol
LogP4.27
Rot. Bonds8

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

N-butyl-N-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)prop-2-enamide (PubChem CID 59464922) has the molecular formula C12H14F9NO and a molecular weight of 359.23 g/mol. Its IUPAC name is N-butyl-N-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)prop-2-enamide.

Molecular Properties

Compound NameN-butyl-N-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)prop-2-enamide
PubChem CID59464922
Molecular FormulaC12H14F9NO
Molecular Weight359.23 g/mol
Exact Mass359.09
IUPAC NameN-butyl-N-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)prop-2-enamide
SMILESC=CC(=O)N(CCCC)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H14F9NO/c1-3-5-6-22(8(23)4-2)7-9(13,14)10(15,16)11(17,18)12(19,20)21/h4H,2-3,5-7H2,1H3
InChIKeyYDLIRFGQYDDUMK-UHFFFAOYSA-N
XLogP4.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.23
LogP ≤ 54.27
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-butyl-N-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)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-butyl-N-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)prop-2-enamide?
The IUPAC name of N-butyl-N-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)prop-2-enamide (CID 59464922) is N-butyl-N-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)prop-2-enamide.
What is the SMILES notation for N-butyl-N-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)prop-2-enamide?
The canonical SMILES for N-butyl-N-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)prop-2-enamide is C=CC(=O)N(CCCC)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N-butyl-N-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)prop-2-enamide?
The InChIKey is YDLIRFGQYDDUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F9NO/c1-3-5-6-22(8(23)4-2)7-9(13,14)10(15,16)11(17,18)12(19,20)21/h4H,2-3,5-7H2,1H3.
What are the key properties of N-butyl-N-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)prop-2-enamide?
N-butyl-N-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)prop-2-enamide has a molecular weight of 359.23 g/mol, XLogP of 4.27, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)prop-2-enamide is sourced from PubChem (CID 59464922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).