N-(2,2-difluoroethyl)-3-methylidenecyclobutane-1-carboxamide

C8H11F2NO — CID 53484589

IUPACN-(2,2-difluoroethyl)-3-methylidenecyclobutane-1-carboxamide
SMILESC=C1CC(C(=O)NCC(F)F)C1
InChIInChI=1S/C8H11F2NO/c1-5-2-6(3-5)8(12)11-4-7(9)10/h6-7H,1-4H2,(H,11,12)
InChIKeySFBJRITXTLDBPI-UHFFFAOYSA-N
MW175.18 g/mol
LogP1.33
Rot. Bonds3

About N-(2,2-difluoroethyl)-3-methylidenecyclobutane-1-carboxamide

N-(2,2-difluoroethyl)-3-methylidenecyclobutane-1-carboxamide (PubChem CID 53484589) has the molecular formula C8H11F2NO and a molecular weight of 175.18 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-3-methylidenecyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-3-methylidenecyclobutane-1-carboxamide
PubChem CID53484589
Molecular FormulaC8H11F2NO
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC NameN-(2,2-difluoroethyl)-3-methylidenecyclobutane-1-carboxamide
SMILESC=C1CC(C(=O)NCC(F)F)C1
InChIInChI=1S/C8H11F2NO/c1-5-2-6(3-5)8(12)11-4-7(9)10/h6-7H,1-4H2,(H,11,12)
InChIKeySFBJRITXTLDBPI-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': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-(2,2-difluoroethyl)-3-methylidenecyclobutane-1-carboxamide 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

4-methyl-N-(2,2,2-trifluoroethyl)pent-4-enamide
CID 123886439
2-(3,3-difluorocyclobutyl)-N-(2-methylprop-2-enyl)acetamide
CID 175397347
N-(cyclohexen-1-ylmethyl)-3,3-difluorocyclobutane-1-carboxamide
CID 126793754
N-(2-chloroprop-2-enyl)-2,2-difluorocyclobutane-1-carboxamide
CID 130658987
N-(2-bromoprop-2-enyl)-2,2-difluorocyclobutane-1-carboxamide
CID 130683239
N-(2-bromoprop-2-enyl)-3,3-difluorocyclobutane-1-carboxamide
CID 130683927
N-but-3-en-2-yl-3,3-difluorocyclobutane-1-carboxamide
CID 130927376
N-(2-chloroprop-2-enyl)-3,3-difluorocyclobutane-1-carboxamide
CID 131207286
N-(3,3,3-trifluoropropyl)cyclobutanecarboxamide
CID 156815785
N,2-dimethyl-4-(trifluoromethyl)pent-4-enamide
CID 172579580
N-[(3-methylidenecyclobutyl)methyl]propanamide
CID 126745774
N-cyclopropyl-3-methylidenecyclobutane-1-carboxamide
CID 53484299

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-3-methylidenecyclobutane-1-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-3-methylidenecyclobutane-1-carboxamide (CID 53484589) is N-(2,2-difluoroethyl)-3-methylidenecyclobutane-1-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-3-methylidenecyclobutane-1-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-3-methylidenecyclobutane-1-carboxamide is C=C1CC(C(=O)NCC(F)F)C1.
What is the InChIKey of N-(2,2-difluoroethyl)-3-methylidenecyclobutane-1-carboxamide?
The InChIKey is SFBJRITXTLDBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2NO/c1-5-2-6(3-5)8(12)11-4-7(9)10/h6-7H,1-4H2,(H,11,12).
What are the key properties of N-(2,2-difluoroethyl)-3-methylidenecyclobutane-1-carboxamide?
N-(2,2-difluoroethyl)-3-methylidenecyclobutane-1-carboxamide 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-(2,2-difluoroethyl)-3-methylidenecyclobutane-1-carboxamide is sourced from PubChem (CID 53484589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).