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

C15H18F9NO — CID 102248403

IUPACN-cyclohexyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)prop-2-enamide
SMILESC=CC(=O)N(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C1CCCCC1
InChIInChI=1S/C15H18F9NO/c1-2-11(26)25(10-6-4-3-5-7-10)9-8-12(16,17)13(18,19)14(20,21)15(22,23)24/h2,10H,1,3-9H2
InChIKeyRWBANHRIFOJANS-UHFFFAOYSA-N
MW399.30 g/mol
LogP5.19
Rot. Bonds7

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

N-cyclohexyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)prop-2-enamide (PubChem CID 102248403) has the molecular formula C15H18F9NO and a molecular weight of 399.30 g/mol. Its IUPAC name is N-cyclohexyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)prop-2-enamide.

Molecular Properties

Compound NameN-cyclohexyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)prop-2-enamide
PubChem CID102248403
Molecular FormulaC15H18F9NO
Molecular Weight399.30 g/mol
Exact Mass399.12
IUPAC NameN-cyclohexyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)prop-2-enamide
SMILESC=CC(=O)N(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C1CCCCC1
InChIInChI=1S/C15H18F9NO/c1-2-11(26)25(10-6-4-3-5-7-10)9-8-12(16,17)13(18,19)14(20,21)15(22,23)24/h2,10H,1,3-9H2
InChIKeyRWBANHRIFOJANS-UHFFFAOYSA-N
XLogP5.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.30
LogP ≤ 55.19
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-cyclohexyl-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-cyclohexyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)prop-2-enamide?
The IUPAC name of N-cyclohexyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)prop-2-enamide (CID 102248403) is N-cyclohexyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)prop-2-enamide.
What is the SMILES notation for N-cyclohexyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)prop-2-enamide?
The canonical SMILES for N-cyclohexyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)prop-2-enamide is C=CC(=O)N(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)prop-2-enamide?
The InChIKey is RWBANHRIFOJANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F9NO/c1-2-11(26)25(10-6-4-3-5-7-10)9-8-12(16,17)13(18,19)14(20,21)15(22,23)24/h2,10H,1,3-9H2.
What are the key properties of N-cyclohexyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)prop-2-enamide?
N-cyclohexyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)prop-2-enamide has a molecular weight of 399.30 g/mol, XLogP of 5.19, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)prop-2-enamide is sourced from PubChem (CID 102248403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).