N-[2,2-difluoro-2-(1-methoxycyclohexyl)ethyl]prop-2-enamide

C12H19F2NO2 — CID 139017822

IUPACN-[2,2-difluoro-2-(1-methoxycyclohexyl)ethyl]prop-2-enamide
SMILESC=CC(=O)NCC(F)(F)C1(OC)CCCCC1
InChIInChI=1S/C12H19F2NO2/c1-3-10(16)15-9-12(13,14)11(17-2)7-5-4-6-8-11/h3H,1,4-9H2,2H3,(H,15,16)
InChIKeyFWEMEMVBSRNAHD-UHFFFAOYSA-N
MW247.28 g/mol
LogP2.27
Rot. Bonds5

About N-[2,2-difluoro-2-(1-methoxycyclohexyl)ethyl]prop-2-enamide

N-[2,2-difluoro-2-(1-methoxycyclohexyl)ethyl]prop-2-enamide (PubChem CID 139017822) has the molecular formula C12H19F2NO2 and a molecular weight of 247.28 g/mol. Its IUPAC name is N-[2,2-difluoro-2-(1-methoxycyclohexyl)ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2,2-difluoro-2-(1-methoxycyclohexyl)ethyl]prop-2-enamide
PubChem CID139017822
Molecular FormulaC12H19F2NO2
Molecular Weight247.28 g/mol
Exact Mass247.14
IUPAC NameN-[2,2-difluoro-2-(1-methoxycyclohexyl)ethyl]prop-2-enamide
SMILESC=CC(=O)NCC(F)(F)C1(OC)CCCCC1
InChIInChI=1S/C12H19F2NO2/c1-3-10(16)15-9-12(13,14)11(17-2)7-5-4-6-8-11/h3H,1,4-9H2,2H3,(H,15,16)
InChIKeyFWEMEMVBSRNAHD-UHFFFAOYSA-N
XLogP2.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2,2-difluoro-2-(1-methoxycyclohexyl)ethyl]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-[2,2-difluoro-2-(1-methoxycyclohexyl)ethyl]prop-2-enamide?
The IUPAC name of N-[2,2-difluoro-2-(1-methoxycyclohexyl)ethyl]prop-2-enamide (CID 139017822) is N-[2,2-difluoro-2-(1-methoxycyclohexyl)ethyl]prop-2-enamide.
What is the SMILES notation for N-[2,2-difluoro-2-(1-methoxycyclohexyl)ethyl]prop-2-enamide?
The canonical SMILES for N-[2,2-difluoro-2-(1-methoxycyclohexyl)ethyl]prop-2-enamide is C=CC(=O)NCC(F)(F)C1(OC)CCCCC1.
What is the InChIKey of N-[2,2-difluoro-2-(1-methoxycyclohexyl)ethyl]prop-2-enamide?
The InChIKey is FWEMEMVBSRNAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2NO2/c1-3-10(16)15-9-12(13,14)11(17-2)7-5-4-6-8-11/h3H,1,4-9H2,2H3,(H,15,16).
What are the key properties of N-[2,2-difluoro-2-(1-methoxycyclohexyl)ethyl]prop-2-enamide?
N-[2,2-difluoro-2-(1-methoxycyclohexyl)ethyl]prop-2-enamide has a molecular weight of 247.28 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-difluoro-2-(1-methoxycyclohexyl)ethyl]prop-2-enamide is sourced from PubChem (CID 139017822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).