2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-N-(2-pyridin-2-ylethyl)heptanamide

C14H10F12N2O — CID 3089729

IUPAC2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-N-(2-pyridin-2-ylethyl)heptanamide
SMILESO=C(NCCc1ccccn1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C14H10F12N2O/c15-8(16)10(17,18)12(21,22)14(25,26)13(23,24)11(19,20)9(29)28-6-4-7-3-1-2-5-27-7/h1-3,5,8H,4,6H2,(H,28,29)
InChIKeyPUMQLVSAPJRKCE-UHFFFAOYSA-N
MW450.22 g/mol
LogP4.18
Rot. Bonds9

About 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-N-(2-pyridin-2-ylethyl)heptanamide

2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-N-(2-pyridin-2-ylethyl)heptanamide (PubChem CID 3089729) has the molecular formula C14H10F12N2O and a molecular weight of 450.22 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-N-(2-pyridin-2-ylethyl)heptanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-N-(2-pyridin-2-ylethyl)heptanamide
PubChem CID3089729
Molecular FormulaC14H10F12N2O
Molecular Weight450.22 g/mol
Exact Mass450.06
IUPAC Name2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-N-(2-pyridin-2-ylethyl)heptanamide
SMILESO=C(NCCc1ccccn1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C14H10F12N2O/c15-8(16)10(17,18)12(21,22)14(25,26)13(23,24)11(19,20)9(29)28-6-4-7-3-1-2-5-27-7/h1-3,5,8H,4,6H2,(H,28,29)
InChIKeyPUMQLVSAPJRKCE-UHFFFAOYSA-N
XLogP4.18
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.22
LogP ≤ 54.18
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 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-N-(2-pyridin-2-ylethyl)heptanamide?
The IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-N-(2-pyridin-2-ylethyl)heptanamide (CID 3089729) is 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-N-(2-pyridin-2-ylethyl)heptanamide.
What is the SMILES notation for 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-N-(2-pyridin-2-ylethyl)heptanamide?
The canonical SMILES for 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-N-(2-pyridin-2-ylethyl)heptanamide is O=C(NCCc1ccccn1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-N-(2-pyridin-2-ylethyl)heptanamide?
The InChIKey is PUMQLVSAPJRKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F12N2O/c15-8(16)10(17,18)12(21,22)14(25,26)13(23,24)11(19,20)9(29)28-6-4-7-3-1-2-5-27-7/h1-3,5,8H,4,6H2,(H,28,29).
What are the key properties of 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-N-(2-pyridin-2-ylethyl)heptanamide?
2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-N-(2-pyridin-2-ylethyl)heptanamide has a molecular weight of 450.22 g/mol, XLogP of 4.18, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-N-(2-pyridin-2-ylethyl)heptanamide is sourced from PubChem (CID 3089729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).