5,5-difluoro-N-methyl-2-methylidenepentanamide

C7H11F2NO — CID 177051474

IUPAC5,5-difluoro-N-methyl-2-methylidenepentanamide
SMILESC=C(CCC(F)F)C(=O)NC
InChIInChI=1S/C7H11F2NO/c1-5(7(11)10-2)3-4-6(8)9/h6H,1,3-4H2,2H3,(H,10,11)
InChIKeyCQBMZATWPHTNRV-UHFFFAOYSA-N
MW163.17 g/mol
LogP1.33
Rot. Bonds4

About 5,5-difluoro-N-methyl-2-methylidenepentanamide

5,5-difluoro-N-methyl-2-methylidenepentanamide (PubChem CID 177051474) has the molecular formula C7H11F2NO and a molecular weight of 163.17 g/mol. Its IUPAC name is 5,5-difluoro-N-methyl-2-methylidenepentanamide.

Molecular Properties

Compound Name5,5-difluoro-N-methyl-2-methylidenepentanamide
PubChem CID177051474
Molecular FormulaC7H11F2NO
Molecular Weight163.17 g/mol
Exact Mass163.08
IUPAC Name5,5-difluoro-N-methyl-2-methylidenepentanamide
SMILESC=C(CCC(F)F)C(=O)NC
InChIInChI=1S/C7H11F2NO/c1-5(7(11)10-2)3-4-6(8)9/h6H,1,3-4H2,2H3,(H,10,11)
InChIKeyCQBMZATWPHTNRV-UHFFFAOYSA-N
XLogP1.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.17
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-N-methyl-2-methylidenepentanamide?
The IUPAC name of 5,5-difluoro-N-methyl-2-methylidenepentanamide (CID 177051474) is 5,5-difluoro-N-methyl-2-methylidenepentanamide.
What is the SMILES notation for 5,5-difluoro-N-methyl-2-methylidenepentanamide?
The canonical SMILES for 5,5-difluoro-N-methyl-2-methylidenepentanamide is C=C(CCC(F)F)C(=O)NC.
What is the InChIKey of 5,5-difluoro-N-methyl-2-methylidenepentanamide?
The InChIKey is CQBMZATWPHTNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO/c1-5(7(11)10-2)3-4-6(8)9/h6H,1,3-4H2,2H3,(H,10,11).
What are the key properties of 5,5-difluoro-N-methyl-2-methylidenepentanamide?
5,5-difluoro-N-methyl-2-methylidenepentanamide has a molecular weight of 163.17 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-N-methyl-2-methylidenepentanamide is sourced from PubChem (CID 177051474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).