N-(7,7-difluoroheptyl)-N-methylprop-2-enamide

C11H19F2NO — CID 89332470

IUPACN-(7,7-difluoroheptyl)-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)CCCCCCC(F)F
InChIInChI=1S/C11H19F2NO/c1-3-11(15)14(2)9-7-5-4-6-8-10(12)13/h3,10H,1,4-9H2,2H3
InChIKeyVSILFLZKXVRHQP-UHFFFAOYSA-N
MW219.27 g/mol
LogP2.85
Rot. Bonds8

About N-(7,7-difluoroheptyl)-N-methylprop-2-enamide

N-(7,7-difluoroheptyl)-N-methylprop-2-enamide (PubChem CID 89332470) has the molecular formula C11H19F2NO and a molecular weight of 219.27 g/mol. Its IUPAC name is N-(7,7-difluoroheptyl)-N-methylprop-2-enamide.

Molecular Properties

Compound NameN-(7,7-difluoroheptyl)-N-methylprop-2-enamide
PubChem CID89332470
Molecular FormulaC11H19F2NO
Molecular Weight219.27 g/mol
Exact Mass219.14
IUPAC NameN-(7,7-difluoroheptyl)-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)CCCCCCC(F)F
InChIInChI=1S/C11H19F2NO/c1-3-11(15)14(2)9-7-5-4-6-8-10(12)13/h3,10H,1,4-9H2,2H3
InChIKeyVSILFLZKXVRHQP-UHFFFAOYSA-N
XLogP2.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(7,7-difluoroheptyl)-N-methylprop-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-(7,7-difluoroheptyl)-N-methylprop-2-enamide?
The IUPAC name of N-(7,7-difluoroheptyl)-N-methylprop-2-enamide (CID 89332470) is N-(7,7-difluoroheptyl)-N-methylprop-2-enamide.
What is the SMILES notation for N-(7,7-difluoroheptyl)-N-methylprop-2-enamide?
The canonical SMILES for N-(7,7-difluoroheptyl)-N-methylprop-2-enamide is C=CC(=O)N(C)CCCCCCC(F)F.
What is the InChIKey of N-(7,7-difluoroheptyl)-N-methylprop-2-enamide?
The InChIKey is VSILFLZKXVRHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NO/c1-3-11(15)14(2)9-7-5-4-6-8-10(12)13/h3,10H,1,4-9H2,2H3.
What are the key properties of N-(7,7-difluoroheptyl)-N-methylprop-2-enamide?
N-(7,7-difluoroheptyl)-N-methylprop-2-enamide has a molecular weight of 219.27 g/mol, XLogP of 2.85, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7,7-difluoroheptyl)-N-methylprop-2-enamide is sourced from PubChem (CID 89332470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).