2-[(8S,9R)-1,1,1,2,2,3,3,4,4,5,5,6,6,11,11,12,12,13,13,14,14,15,15,16,16,16-hexacosafluoro-9-pyridin-2-ylhexadecan-8-yl]pyridine

C26H14F26N2 — CID 139157529

IUPAC2-[(8S,9R)-1,1,1,2,2,3,3,4,4,5,5,6,6,11,11,12,12,13,13,14,14,15,15,16,16,16-hexacosafluoro-9-pyridin-2-ylhexadecan-8-yl]pyridine
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@H](c1ccccn1)[C@@H](CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1ccccn1
InChIInChI=1S/C26H14F26N2/c27-15(28,17(31,32)19(35,36)21(39,40)23(43,44)25(47,48)49)9-11(13-5-1-3-7-53-13)12(14-6-2-4-8-54-14)10-16(29,30)18(33,34)20(37,38)22(41,42)24(45,46)26(50,51)52/h1-8,11-12H,9-10H2/t11-,12+
InChIKeyODCCLQSRRHKHJX-TXEJJXNPSA-N
MW848.36 g/mol
LogP11.60
Rot. Bonds15

About 2-[(8S,9R)-1,1,1,2,2,3,3,4,4,5,5,6,6,11,11,12,12,13,13,14,14,15,15,16,16,16-hexacosafluoro-9-pyridin-2-ylhexadecan-8-yl]pyridine

2-[(8S,9R)-1,1,1,2,2,3,3,4,4,5,5,6,6,11,11,12,12,13,13,14,14,15,15,16,16,16-hexacosafluoro-9-pyridin-2-ylhexadecan-8-yl]pyridine (PubChem CID 139157529) has the molecular formula C26H14F26N2 and a molecular weight of 848.36 g/mol. Its IUPAC name is 2-[(8S,9R)-1,1,1,2,2,3,3,4,4,5,5,6,6,11,11,12,12,13,13,14,14,15,15,16,16,16-hexacosafluoro-9-pyridin-2-ylhexadecan-8-yl]pyridine.

Molecular Properties

Compound Name2-[(8S,9R)-1,1,1,2,2,3,3,4,4,5,5,6,6,11,11,12,12,13,13,14,14,15,15,16,16,16-hexacosafluoro-9-pyridin-2-ylhexadecan-8-yl]pyridine
PubChem CID139157529
Molecular FormulaC26H14F26N2
Molecular Weight848.36 g/mol
Exact Mass848.07
IUPAC Name2-[(8S,9R)-1,1,1,2,2,3,3,4,4,5,5,6,6,11,11,12,12,13,13,14,14,15,15,16,16,16-hexacosafluoro-9-pyridin-2-ylhexadecan-8-yl]pyridine
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@H](c1ccccn1)[C@@H](CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1ccccn1
InChIInChI=1S/C26H14F26N2/c27-15(28,17(31,32)19(35,36)21(39,40)23(43,44)25(47,48)49)9-11(13-5-1-3-7-53-13)12(14-6-2-4-8-54-14)10-16(29,30)18(33,34)20(37,38)22(41,42)24(45,46)26(50,51)52/h1-8,11-12H,9-10H2/t11-,12+
InChIKeyODCCLQSRRHKHJX-TXEJJXNPSA-N
XLogP11.60
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500848.36
LogP ≤ 511.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(8S,9R)-1,1,1,2,2,3,3,4,4,5,5,6,6,11,11,12,12,13,13,14,14,15,15,16,16,16-hexacosafluoro-9-pyridin-2-ylhexadecan-8-yl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(8S,9R)-1,1,1,2,2,3,3,4,4,5,5,6,6,11,11,12,12,13,13,14,14,15,15,16,16,16-hexacosafluoro-9-pyridin-2-ylhexadecan-8-yl]pyridine?
The IUPAC name of 2-[(8S,9R)-1,1,1,2,2,3,3,4,4,5,5,6,6,11,11,12,12,13,13,14,14,15,15,16,16,16-hexacosafluoro-9-pyridin-2-ylhexadecan-8-yl]pyridine (CID 139157529) is 2-[(8S,9R)-1,1,1,2,2,3,3,4,4,5,5,6,6,11,11,12,12,13,13,14,14,15,15,16,16,16-hexacosafluoro-9-pyridin-2-ylhexadecan-8-yl]pyridine.
What is the SMILES notation for 2-[(8S,9R)-1,1,1,2,2,3,3,4,4,5,5,6,6,11,11,12,12,13,13,14,14,15,15,16,16,16-hexacosafluoro-9-pyridin-2-ylhexadecan-8-yl]pyridine?
The canonical SMILES for 2-[(8S,9R)-1,1,1,2,2,3,3,4,4,5,5,6,6,11,11,12,12,13,13,14,14,15,15,16,16,16-hexacosafluoro-9-pyridin-2-ylhexadecan-8-yl]pyridine is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@H](c1ccccn1)[C@@H](CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1ccccn1.
What is the InChIKey of 2-[(8S,9R)-1,1,1,2,2,3,3,4,4,5,5,6,6,11,11,12,12,13,13,14,14,15,15,16,16,16-hexacosafluoro-9-pyridin-2-ylhexadecan-8-yl]pyridine?
The InChIKey is ODCCLQSRRHKHJX-TXEJJXNPSA-N. The full InChI is InChI=1S/C26H14F26N2/c27-15(28,17(31,32)19(35,36)21(39,40)23(43,44)25(47,48)49)9-11(13-5-1-3-7-53-13)12(14-6-2-4-8-54-14)10-16(29,30)18(33,34)20(37,38)22(41,42)24(45,46)26(50,51)52/h1-8,11-12H,9-10H2/t11-,12+.
What are the key properties of 2-[(8S,9R)-1,1,1,2,2,3,3,4,4,5,5,6,6,11,11,12,12,13,13,14,14,15,15,16,16,16-hexacosafluoro-9-pyridin-2-ylhexadecan-8-yl]pyridine?
2-[(8S,9R)-1,1,1,2,2,3,3,4,4,5,5,6,6,11,11,12,12,13,13,14,14,15,15,16,16,16-hexacosafluoro-9-pyridin-2-ylhexadecan-8-yl]pyridine has a molecular weight of 848.36 g/mol, XLogP of 11.60, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8S,9R)-1,1,1,2,2,3,3,4,4,5,5,6,6,11,11,12,12,13,13,14,14,15,15,16,16,16-hexacosafluoro-9-pyridin-2-ylhexadecan-8-yl]pyridine is sourced from PubChem (CID 139157529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).