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

C12H12F6N2O — CID 170315379

IUPACN-(2,6-dimethyl-4-pyridinyl)-2,2,3,3,4,4-hexafluoropentanamide
SMILESCc1cc(NC(=O)C(F)(F)C(F)(F)C(C)(F)F)cc(C)n1
InChIInChI=1S/C12H12F6N2O/c1-6-4-8(5-7(2)19-6)20-9(21)11(15,16)12(17,18)10(3,13)14/h4-5H,1-3H3,(H,19,20,21)
InChIKeyMZGQOSGWHXSMGT-UHFFFAOYSA-N
MW314.23 g/mol
LogP3.56
Rot. Bonds4

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

N-(2,6-dimethyl-4-pyridinyl)-2,2,3,3,4,4-hexafluoropentanamide (PubChem CID 170315379) has the molecular formula C12H12F6N2O and a molecular weight of 314.23 g/mol. Its IUPAC name is N-(2,6-dimethyl-4-pyridinyl)-2,2,3,3,4,4-hexafluoropentanamide.

Molecular Properties

Compound NameN-(2,6-dimethyl-4-pyridinyl)-2,2,3,3,4,4-hexafluoropentanamide
PubChem CID170315379
Molecular FormulaC12H12F6N2O
Molecular Weight314.23 g/mol
Exact Mass314.09
IUPAC NameN-(2,6-dimethyl-4-pyridinyl)-2,2,3,3,4,4-hexafluoropentanamide
SMILESCc1cc(NC(=O)C(F)(F)C(F)(F)C(C)(F)F)cc(C)n1
InChIInChI=1S/C12H12F6N2O/c1-6-4-8(5-7(2)19-6)20-9(21)11(15,16)12(17,18)10(3,13)14/h4-5H,1-3H3,(H,19,20,21)
InChIKeyMZGQOSGWHXSMGT-UHFFFAOYSA-N
XLogP3.56
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.23
LogP ≤ 53.56
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)-2,2,3,3,4,4-hexafluoropentanamide?
The IUPAC name of N-(2,6-dimethyl-4-pyridinyl)-2,2,3,3,4,4-hexafluoropentanamide (CID 170315379) is N-(2,6-dimethyl-4-pyridinyl)-2,2,3,3,4,4-hexafluoropentanamide.
What is the SMILES notation for N-(2,6-dimethyl-4-pyridinyl)-2,2,3,3,4,4-hexafluoropentanamide?
The canonical SMILES for N-(2,6-dimethyl-4-pyridinyl)-2,2,3,3,4,4-hexafluoropentanamide is Cc1cc(NC(=O)C(F)(F)C(F)(F)C(C)(F)F)cc(C)n1.
What is the InChIKey of N-(2,6-dimethyl-4-pyridinyl)-2,2,3,3,4,4-hexafluoropentanamide?
The InChIKey is MZGQOSGWHXSMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F6N2O/c1-6-4-8(5-7(2)19-6)20-9(21)11(15,16)12(17,18)10(3,13)14/h4-5H,1-3H3,(H,19,20,21).
What are the key properties of N-(2,6-dimethyl-4-pyridinyl)-2,2,3,3,4,4-hexafluoropentanamide?
N-(2,6-dimethyl-4-pyridinyl)-2,2,3,3,4,4-hexafluoropentanamide has a molecular weight of 314.23 g/mol, XLogP of 3.56, 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)-2,2,3,3,4,4-hexafluoropentanamide is sourced from PubChem (CID 170315379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).