N-(3,5-dichloro-4-pyridinyl)-2,2,3,3,4,4,4-heptafluorobutanamide

C9H3Cl2F7N2O — CID 156646269

IUPACN-(3,5-dichloro-4-pyridinyl)-2,2,3,3,4,4,4-heptafluorobutanamide
SMILESO=C(Nc1c(Cl)cncc1Cl)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H3Cl2F7N2O/c10-3-1-19-2-4(11)5(3)20-6(21)7(12,13)8(14,15)9(16,17)18/h1-2H,(H,19,20,21)
InChIKeyJXCMQUYTJYFHCL-UHFFFAOYSA-N
MW359.03 g/mol
LogP4.16
Rot. Bonds3

About N-(3,5-dichloro-4-pyridinyl)-2,2,3,3,4,4,4-heptafluorobutanamide

N-(3,5-dichloro-4-pyridinyl)-2,2,3,3,4,4,4-heptafluorobutanamide (PubChem CID 156646269) has the molecular formula C9H3Cl2F7N2O and a molecular weight of 359.03 g/mol. Its IUPAC name is N-(3,5-dichloro-4-pyridinyl)-2,2,3,3,4,4,4-heptafluorobutanamide.

Molecular Properties

Compound NameN-(3,5-dichloro-4-pyridinyl)-2,2,3,3,4,4,4-heptafluorobutanamide
PubChem CID156646269
Molecular FormulaC9H3Cl2F7N2O
Molecular Weight359.03 g/mol
Exact Mass357.95
IUPAC NameN-(3,5-dichloro-4-pyridinyl)-2,2,3,3,4,4,4-heptafluorobutanamide
SMILESO=C(Nc1c(Cl)cncc1Cl)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H3Cl2F7N2O/c10-3-1-19-2-4(11)5(3)20-6(21)7(12,13)8(14,15)9(16,17)18/h1-2H,(H,19,20,21)
InChIKeyJXCMQUYTJYFHCL-UHFFFAOYSA-N
XLogP4.16
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.03
LogP ≤ 54.16
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-(3,5-dichloro-4-pyridinyl)-2,2,3,3,4,4,4-heptafluorobutanamide?
The IUPAC name of N-(3,5-dichloro-4-pyridinyl)-2,2,3,3,4,4,4-heptafluorobutanamide (CID 156646269) is N-(3,5-dichloro-4-pyridinyl)-2,2,3,3,4,4,4-heptafluorobutanamide.
What is the SMILES notation for N-(3,5-dichloro-4-pyridinyl)-2,2,3,3,4,4,4-heptafluorobutanamide?
The canonical SMILES for N-(3,5-dichloro-4-pyridinyl)-2,2,3,3,4,4,4-heptafluorobutanamide is O=C(Nc1c(Cl)cncc1Cl)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N-(3,5-dichloro-4-pyridinyl)-2,2,3,3,4,4,4-heptafluorobutanamide?
The InChIKey is JXCMQUYTJYFHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3Cl2F7N2O/c10-3-1-19-2-4(11)5(3)20-6(21)7(12,13)8(14,15)9(16,17)18/h1-2H,(H,19,20,21).
What are the key properties of N-(3,5-dichloro-4-pyridinyl)-2,2,3,3,4,4,4-heptafluorobutanamide?
N-(3,5-dichloro-4-pyridinyl)-2,2,3,3,4,4,4-heptafluorobutanamide has a molecular weight of 359.03 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-4-pyridinyl)-2,2,3,3,4,4,4-heptafluorobutanamide is sourced from PubChem (CID 156646269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).