N-(2,6-dimethyl-4-pyridinyl)-2,2,3,3,4-pentafluorobutanamide

C11H11F5N2O — CID 156646242

IUPACN-(2,6-dimethyl-4-pyridinyl)-2,2,3,3,4-pentafluorobutanamide
SMILESCc1cc(NC(=O)C(F)(F)C(F)(F)CF)cc(C)n1
InChIInChI=1S/C11H11F5N2O/c1-6-3-8(4-7(2)17-6)18-9(19)11(15,16)10(13,14)5-12/h3-4H,5H2,1-2H3,(H,17,18,19)
InChIKeyOFYMMEMMBHQXKF-UHFFFAOYSA-N
MW282.21 g/mol
LogP2.88
Rot. Bonds4

About N-(2,6-dimethyl-4-pyridinyl)-2,2,3,3,4-pentafluorobutanamide

N-(2,6-dimethyl-4-pyridinyl)-2,2,3,3,4-pentafluorobutanamide (PubChem CID 156646242) has the molecular formula C11H11F5N2O and a molecular weight of 282.21 g/mol. Its IUPAC name is N-(2,6-dimethyl-4-pyridinyl)-2,2,3,3,4-pentafluorobutanamide.

Molecular Properties

Compound NameN-(2,6-dimethyl-4-pyridinyl)-2,2,3,3,4-pentafluorobutanamide
PubChem CID156646242
Molecular FormulaC11H11F5N2O
Molecular Weight282.21 g/mol
Exact Mass282.08
IUPAC NameN-(2,6-dimethyl-4-pyridinyl)-2,2,3,3,4-pentafluorobutanamide
SMILESCc1cc(NC(=O)C(F)(F)C(F)(F)CF)cc(C)n1
InChIInChI=1S/C11H11F5N2O/c1-6-3-8(4-7(2)17-6)18-9(19)11(15,16)10(13,14)5-12/h3-4H,5H2,1-2H3,(H,17,18,19)
InChIKeyOFYMMEMMBHQXKF-UHFFFAOYSA-N
XLogP2.88
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.21
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethyl-4-pyridinyl)-2,2,3,3,4-pentafluorobutanamide?
The IUPAC name of N-(2,6-dimethyl-4-pyridinyl)-2,2,3,3,4-pentafluorobutanamide (CID 156646242) is N-(2,6-dimethyl-4-pyridinyl)-2,2,3,3,4-pentafluorobutanamide.
What is the SMILES notation for N-(2,6-dimethyl-4-pyridinyl)-2,2,3,3,4-pentafluorobutanamide?
The canonical SMILES for N-(2,6-dimethyl-4-pyridinyl)-2,2,3,3,4-pentafluorobutanamide is Cc1cc(NC(=O)C(F)(F)C(F)(F)CF)cc(C)n1.
What is the InChIKey of N-(2,6-dimethyl-4-pyridinyl)-2,2,3,3,4-pentafluorobutanamide?
The InChIKey is OFYMMEMMBHQXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F5N2O/c1-6-3-8(4-7(2)17-6)18-9(19)11(15,16)10(13,14)5-12/h3-4H,5H2,1-2H3,(H,17,18,19).
What are the key properties of N-(2,6-dimethyl-4-pyridinyl)-2,2,3,3,4-pentafluorobutanamide?
N-(2,6-dimethyl-4-pyridinyl)-2,2,3,3,4-pentafluorobutanamide has a molecular weight of 282.21 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethyl-4-pyridinyl)-2,2,3,3,4-pentafluorobutanamide is sourced from PubChem (CID 156646242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).