2,2-difluoro-4-methyl-N,N-dipropylpent-4-enamide

C12H21F2NO — CID 166658656

IUPAC2,2-difluoro-4-methyl-N,N-dipropylpent-4-enamide
SMILESCCCN(CCC)C(=O)C(CC(=C)C)(F)F
InChIInChI=1S/C12H21F2NO/c1-5-7-15(8-6-2)11(16)12(13,14)9-10(3)4/h3,5-9H2,1-2,4H3
InChIKeyOLUQCCFNRSSOPF-UHFFFAOYSA-N
MW233.30 g/mol
LogP3.90
Rot. Bonds7

About 2,2-difluoro-4-methyl-N,N-dipropylpent-4-enamide

2,2-difluoro-4-methyl-N,N-dipropylpent-4-enamide (PubChem CID 166658656) has the molecular formula C12H21F2NO and a molecular weight of 233.30 g/mol. Its IUPAC name is 2,2-difluoro-4-methyl-N,N-dipropylpent-4-enamide.

Molecular Properties

Compound Name2,2-difluoro-4-methyl-N,N-dipropylpent-4-enamide
PubChem CID166658656
Molecular FormulaC12H21F2NO
Molecular Weight233.30 g/mol
Exact Mass233.16
IUPAC Name2,2-difluoro-4-methyl-N,N-dipropylpent-4-enamide
SMILESCCCN(CCC)C(=O)C(CC(=C)C)(F)F
InChIInChI=1S/C12H21F2NO/c1-5-7-15(8-6-2)11(16)12(13,14)9-10(3)4/h3,5-9H2,1-2,4H3
InChIKeyOLUQCCFNRSSOPF-UHFFFAOYSA-N
XLogP3.90
TPSA20.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity245

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-4-methyl-N,N-dipropylpent-4-enamide?
The IUPAC name of 2,2-difluoro-4-methyl-N,N-dipropylpent-4-enamide (CID 166658656) is 2,2-difluoro-4-methyl-N,N-dipropylpent-4-enamide.
What is the SMILES notation for 2,2-difluoro-4-methyl-N,N-dipropylpent-4-enamide?
The canonical SMILES for 2,2-difluoro-4-methyl-N,N-dipropylpent-4-enamide is CCCN(CCC)C(=O)C(CC(=C)C)(F)F.
What is the InChIKey of 2,2-difluoro-4-methyl-N,N-dipropylpent-4-enamide?
The InChIKey is OLUQCCFNRSSOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F2NO/c1-5-7-15(8-6-2)11(16)12(13,14)9-10(3)4/h3,5-9H2,1-2,4H3.
What are the key properties of 2,2-difluoro-4-methyl-N,N-dipropylpent-4-enamide?
2,2-difluoro-4-methyl-N,N-dipropylpent-4-enamide has a molecular weight of 233.30 g/mol, XLogP of 3.90, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-4-methyl-N,N-dipropylpent-4-enamide is sourced from PubChem (CID 166658656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).