N-(2-fluoro-2-methylpropyl)-N-methyl-2-methylidenebut-3-enamide

C10H16FNO — CID 144636882

IUPACN-(2-fluoro-2-methylpropyl)-N-methyl-2-methylidenebut-3-enamide
SMILESC=CC(=C)C(=O)N(C)CC(C)(C)F
InChIInChI=1S/C10H16FNO/c1-6-8(2)9(13)12(5)7-10(3,4)11/h6H,1-2,7H2,3-5H3
InChIKeyNKVSYIQHBMQMEV-UHFFFAOYSA-N
MW185.24 g/mol
LogP1.94
Rot. Bonds4

About N-(2-fluoro-2-methylpropyl)-N-methyl-2-methylidenebut-3-enamide

N-(2-fluoro-2-methylpropyl)-N-methyl-2-methylidenebut-3-enamide (PubChem CID 144636882) has the molecular formula C10H16FNO and a molecular weight of 185.24 g/mol. Its IUPAC name is N-(2-fluoro-2-methylpropyl)-N-methyl-2-methylidenebut-3-enamide.

Molecular Properties

Compound NameN-(2-fluoro-2-methylpropyl)-N-methyl-2-methylidenebut-3-enamide
PubChem CID144636882
Molecular FormulaC10H16FNO
Molecular Weight185.24 g/mol
Exact Mass185.12
IUPAC NameN-(2-fluoro-2-methylpropyl)-N-methyl-2-methylidenebut-3-enamide
SMILESC=CC(=C)C(=O)N(C)CC(C)(C)F
InChIInChI=1S/C10H16FNO/c1-6-8(2)9(13)12(5)7-10(3,4)11/h6H,1-2,7H2,3-5H3
InChIKeyNKVSYIQHBMQMEV-UHFFFAOYSA-N
XLogP1.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.24
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(2-fluoro-2-methylpropyl)-N-methyl-2-methylidenebut-3-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-fluoro-2-methylpropyl)-N-methyl-2-methylidenebut-3-enamide?
The IUPAC name of N-(2-fluoro-2-methylpropyl)-N-methyl-2-methylidenebut-3-enamide (CID 144636882) is N-(2-fluoro-2-methylpropyl)-N-methyl-2-methylidenebut-3-enamide.
What is the SMILES notation for N-(2-fluoro-2-methylpropyl)-N-methyl-2-methylidenebut-3-enamide?
The canonical SMILES for N-(2-fluoro-2-methylpropyl)-N-methyl-2-methylidenebut-3-enamide is C=CC(=C)C(=O)N(C)CC(C)(C)F.
What is the InChIKey of N-(2-fluoro-2-methylpropyl)-N-methyl-2-methylidenebut-3-enamide?
The InChIKey is NKVSYIQHBMQMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FNO/c1-6-8(2)9(13)12(5)7-10(3,4)11/h6H,1-2,7H2,3-5H3.
What are the key properties of N-(2-fluoro-2-methylpropyl)-N-methyl-2-methylidenebut-3-enamide?
N-(2-fluoro-2-methylpropyl)-N-methyl-2-methylidenebut-3-enamide has a molecular weight of 185.24 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-2-methylpropyl)-N-methyl-2-methylidenebut-3-enamide is sourced from PubChem (CID 144636882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).