N-[(3,3-difluorocyclobutyl)methyl]prop-2-enamide

C8H11F2NO — CID 127004862

IUPACN-[(3,3-difluorocyclobutyl)methyl]prop-2-enamide
SMILESC=CC(=O)NCC1CC(F)(F)C1
InChIInChI=1S/C8H11F2NO/c1-2-7(12)11-5-6-3-8(9,10)4-6/h2,6H,1,3-5H2,(H,11,12)
InChIKeyJCFSGBHUOITYCE-UHFFFAOYSA-N
MW175.18 g/mol
LogP1.33
Rot. Bonds3

About N-[(3,3-difluorocyclobutyl)methyl]prop-2-enamide

N-[(3,3-difluorocyclobutyl)methyl]prop-2-enamide (PubChem CID 127004862) has the molecular formula C8H11F2NO and a molecular weight of 175.18 g/mol. Its IUPAC name is N-[(3,3-difluorocyclobutyl)methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[(3,3-difluorocyclobutyl)methyl]prop-2-enamide
PubChem CID127004862
Molecular FormulaC8H11F2NO
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC NameN-[(3,3-difluorocyclobutyl)methyl]prop-2-enamide
SMILESC=CC(=O)NCC1CC(F)(F)C1
InChIInChI=1S/C8H11F2NO/c1-2-7(12)11-5-6-3-8(9,10)4-6/h2,6H,1,3-5H2,(H,11,12)
InChIKeyJCFSGBHUOITYCE-UHFFFAOYSA-N
XLogP1.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(3,3-difluorocyclobutyl)methyl]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

Related Compounds

N-(2-azaspiro[3.3]heptan-6-ylmethyl)prop-2-enamide
CID 176702448
N-[(4-hydroxycyclohexyl)methyl]prop-2-enamide
CID 106124120
4-[(prop-2-enoylamino)methyl]cyclohexane-1-carboxylic acid
CID 18757083
1-[(3,3-difluorocyclobutyl)methyl]-3-propan-2-ylurea
CID 130758492
N-(thiolan-3-ylmethyl)prop-2-enamide
CID 107295518
2-cyano-N-[(3,3-difluorocyclobutyl)methyl]propanamide
CID 131181775
N-[(3,3-difluorocyclobutyl)methyl]formamide
CID 130859227
N-[[(1R,2R,4R,6R,7S,8R)-8-[(prop-2-enoylamino)methyl]-4-tricyclo[5.2.1.02,6]decanyl]methyl]prop-2-enamide
CID 124925910
N-[(1-butan-2-ylpyrrolidin-3-yl)methyl]prop-2-enamide
CID 139017826
N-[(3,3-difluorocyclopentyl)methyl]propanamide
CID 131084528
N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]prop-2-enamide
CID 166414598
N-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]prop-2-enamide
CID 167842346

Frequently Asked Questions

What is the IUPAC name of N-[(3,3-difluorocyclobutyl)methyl]prop-2-enamide?
The IUPAC name of N-[(3,3-difluorocyclobutyl)methyl]prop-2-enamide (CID 127004862) is N-[(3,3-difluorocyclobutyl)methyl]prop-2-enamide.
What is the SMILES notation for N-[(3,3-difluorocyclobutyl)methyl]prop-2-enamide?
The canonical SMILES for N-[(3,3-difluorocyclobutyl)methyl]prop-2-enamide is C=CC(=O)NCC1CC(F)(F)C1.
What is the InChIKey of N-[(3,3-difluorocyclobutyl)methyl]prop-2-enamide?
The InChIKey is JCFSGBHUOITYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2NO/c1-2-7(12)11-5-6-3-8(9,10)4-6/h2,6H,1,3-5H2,(H,11,12).
What are the key properties of N-[(3,3-difluorocyclobutyl)methyl]prop-2-enamide?
N-[(3,3-difluorocyclobutyl)methyl]prop-2-enamide has a molecular weight of 175.18 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,3-difluorocyclobutyl)methyl]prop-2-enamide is sourced from PubChem (CID 127004862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).