2-(difluoromethylidene)pent-4-enamide

C6H7F2NO — CID 88728991

IUPAC2-(difluoromethylidene)pent-4-enamide
SMILESC=CCC(C(N)=O)=C(F)F
InChIInChI=1S/C6H7F2NO/c1-2-3-4(5(7)8)6(9)10/h2H,1,3H2,(H2,9,10)
InChIKeyKWCKQHPBQFWYAI-UHFFFAOYSA-N
MW147.12 g/mol
LogP1.20
Rot. Bonds3

About 2-(difluoromethylidene)pent-4-enamide

2-(difluoromethylidene)pent-4-enamide (PubChem CID 88728991) has the molecular formula C6H7F2NO and a molecular weight of 147.12 g/mol. Its IUPAC name is 2-(difluoromethylidene)pent-4-enamide.

Molecular Properties

Compound Name2-(difluoromethylidene)pent-4-enamide
PubChem CID88728991
Molecular FormulaC6H7F2NO
Molecular Weight147.12 g/mol
Exact Mass147.05
IUPAC Name2-(difluoromethylidene)pent-4-enamide
SMILESC=CCC(C(N)=O)=C(F)F
InChIInChI=1S/C6H7F2NO/c1-2-3-4(5(7)8)6(9)10/h2H,1,3H2,(H2,9,10)
InChIKeyKWCKQHPBQFWYAI-UHFFFAOYSA-N
XLogP1.20
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.12
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2-Difluoroethylacrylamide
CID 129218040
2-Methylidenepent-4-enamide
CID 18352041
2,2-Difluoropent-4-enamide
CID 15021206
N,2,2-trifluoropent-4-enamide
CID 21936519
3,3,4,4,4-Pentafluoro-2-methylidenebutanamide
CID 87269833
4,4,4-Trifluoro-2-methylidenebutanamide
CID 87278714
3-Fluoro-2-methylidenepent-4-enamide
CID 87881753
2,2-Difluoro-3-methylbut-3-enamide
CID 91451930
3-(Trifluoromethyl)but-3-enamide
CID 170197438
5-Fluoro-2-methylidenepent-4-enamide
CID 173182700
3,4,4-Trifluoro-2-methylidenebutanamide
CID 174655935

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylidene)pent-4-enamide?
The IUPAC name of 2-(difluoromethylidene)pent-4-enamide (CID 88728991) is 2-(difluoromethylidene)pent-4-enamide.
What is the SMILES notation for 2-(difluoromethylidene)pent-4-enamide?
The canonical SMILES for 2-(difluoromethylidene)pent-4-enamide is C=CCC(C(N)=O)=C(F)F.
What is the InChIKey of 2-(difluoromethylidene)pent-4-enamide?
The InChIKey is KWCKQHPBQFWYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F2NO/c1-2-3-4(5(7)8)6(9)10/h2H,1,3H2,(H2,9,10).
What are the key properties of 2-(difluoromethylidene)pent-4-enamide?
2-(difluoromethylidene)pent-4-enamide has a molecular weight of 147.12 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylidene)pent-4-enamide is sourced from PubChem (CID 88728991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).