2-[2-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-5-(trifluoromethyl)phenyl]pyridine

C20H11F16N — CID 102097067

IUPAC2-[2-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-5-(trifluoromethyl)phenyl]pyridine
SMILESFC(F)(F)c1ccc(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(-c2ccccn2)c1
InChIInChI=1S/C20H11F16N/c21-14(22,16(26,27)17(28,29)18(30,31)19(32,33)20(34,35)36)7-6-10-4-5-11(15(23,24)25)9-12(10)13-3-1-2-8-37-13/h1-5,8-9H,6-7H2
InChIKeyNRMTVRWZRADQEW-UHFFFAOYSA-N
MW569.28 g/mol
LogP8.44
Rot. Bonds8

About 2-[2-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-5-(trifluoromethyl)phenyl]pyridine

2-[2-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-5-(trifluoromethyl)phenyl]pyridine (PubChem CID 102097067) has the molecular formula C20H11F16N and a molecular weight of 569.28 g/mol. Its IUPAC name is 2-[2-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-5-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name2-[2-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-5-(trifluoromethyl)phenyl]pyridine
PubChem CID102097067
Molecular FormulaC20H11F16N
Molecular Weight569.28 g/mol
Exact Mass569.06
IUPAC Name2-[2-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-5-(trifluoromethyl)phenyl]pyridine
SMILESFC(F)(F)c1ccc(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(-c2ccccn2)c1
InChIInChI=1S/C20H11F16N/c21-14(22,16(26,27)17(28,29)18(30,31)19(32,33)20(34,35)36)7-6-10-4-5-11(15(23,24)25)9-12(10)13-3-1-2-8-37-13/h1-5,8-9H,6-7H2
InChIKeyNRMTVRWZRADQEW-UHFFFAOYSA-N
XLogP8.44
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.28
LogP ≤ 58.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(E)-prop-1-enyl]-5-(trifluoromethyl)phenyl]pyridine
CID 11964180
2-[2-methyl-3,5-bis(trifluoromethyl)phenyl]pyridine
CID 144740114
2,6-dipyridin-2-yl-4-[3,4,5-tris(5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluorododecoxy)phenyl]pyridine
CID 101367271
2-[2-[(E)-2-(2-methylphenyl)ethenyl]-4-(trifluoromethyl)phenyl]pyridine
CID 102107805
2-[5-tert-butyl-2-(4-tert-butyl-2-pyridin-2-ylphenyl)phenyl]pyridine
CID 155908951
2-[2-(9-borabicyclo[3.3.1]nonan-9-yl)-4-(trifluoromethyl)phenyl]pyridine
CID 132510141
2,6-dipyridin-2-yl-4-[4-(trifluoromethyl)phenyl]pyridine
CID 58672250
2-phenyl-6-pyridin-2-yl-4-(trifluoromethyl)pyridine
CID 135069582
2-(4-pyridin-2-ylphenyl)-4,6-bis(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptoxy)-1,3,5-triazine
CID 176747311
2-[3-[2-(2,6-dimethylphenyl)-4-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)phenyl]benzene-6-id-1-yl]pyridine;iridium
CID 155602182
3-pyridin-2-yl-2-(trifluoromethyl)pyridine
CID 68525561
2-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)phenyl]pyridine
CID 170286441

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-5-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 2-[2-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-5-(trifluoromethyl)phenyl]pyridine (CID 102097067) is 2-[2-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-5-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 2-[2-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-5-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 2-[2-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-5-(trifluoromethyl)phenyl]pyridine is FC(F)(F)c1ccc(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c(-c2ccccn2)c1.
What is the InChIKey of 2-[2-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-5-(trifluoromethyl)phenyl]pyridine?
The InChIKey is NRMTVRWZRADQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11F16N/c21-14(22,16(26,27)17(28,29)18(30,31)19(32,33)20(34,35)36)7-6-10-4-5-11(15(23,24)25)9-12(10)13-3-1-2-8-37-13/h1-5,8-9H,6-7H2.
What are the key properties of 2-[2-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-5-(trifluoromethyl)phenyl]pyridine?
2-[2-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-5-(trifluoromethyl)phenyl]pyridine has a molecular weight of 569.28 g/mol, XLogP of 8.44, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-5-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 102097067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).