5-(2-fluorohexoxy)-2-(4-undecylphenyl)pyridine

C28H42FNO — CID 139772078

IUPAC5-(2-fluorohexoxy)-2-(4-undecylphenyl)pyridine
SMILESCCCCCCCCCCCc1ccc(-c2ccc(OCC(F)CCCC)cn2)cc1
InChIInChI=1S/C28H42FNO/c1-3-5-7-8-9-10-11-12-13-14-24-16-18-25(19-17-24)28-21-20-27(22-30-28)31-23-26(29)15-6-4-2/h16-22,26H,3-15,23H2,1-2H3
InChIKeyJIRXRQLNFAOFAA-UHFFFAOYSA-N
MW427.65 g/mol
LogP8.73
Rot. Bonds17

About 5-(2-fluorohexoxy)-2-(4-undecylphenyl)pyridine

5-(2-fluorohexoxy)-2-(4-undecylphenyl)pyridine (PubChem CID 139772078) has the molecular formula C28H42FNO and a molecular weight of 427.65 g/mol. Its IUPAC name is 5-(2-fluorohexoxy)-2-(4-undecylphenyl)pyridine.

Molecular Properties

Compound Name5-(2-fluorohexoxy)-2-(4-undecylphenyl)pyridine
PubChem CID139772078
Molecular FormulaC28H42FNO
Molecular Weight427.65 g/mol
Exact Mass427.33
IUPAC Name5-(2-fluorohexoxy)-2-(4-undecylphenyl)pyridine
SMILESCCCCCCCCCCCc1ccc(-c2ccc(OCC(F)CCCC)cn2)cc1
InChIInChI=1S/C28H42FNO/c1-3-5-7-8-9-10-11-12-13-14-24-16-18-25(19-17-24)28-21-20-27(22-30-28)31-23-26(29)15-6-4-2/h16-22,26H,3-15,23H2,1-2H3
InChIKeyJIRXRQLNFAOFAA-UHFFFAOYSA-N
XLogP8.73
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.65
LogP ≤ 58.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(2-fluorohexoxy)-2-(4-heptylphenyl)pyridine
CID 139772010
2-(4-decylphenyl)-5-(2-fluorooctoxy)pyridine
CID 139772067
2-(4-decylphenyl)-5-(2-fluoroheptoxy)pyridine
CID 139772002
2-(4-butylphenyl)-5-(2-fluorononoxy)pyridine
CID 139772017
5-(2-fluorooctoxy)-2-(4-nonoxyphenyl)pyridine
CID 139772041
5-(2-fluorodecoxy)-2-(4-hexoxyphenyl)pyridine
CID 139772001
2-(4-decylphenyl)-5-(2,5-difluorononoxy)pyrimidine
CID 18697154
5-(2,6-difluorodecoxy)-2-(4-octylphenyl)pyrimidine
CID 18697072
2-(4-heptylphenyl)-5-propoxypyridine
CID 19841888
5-[4-(2-fluoroheptoxy)phenyl]-2-(4-hexylphenyl)pyrimidine
CID 22161198
2-(4-decylphenyl)-5-[4-(2-fluorononoxy)phenyl]pyrimidine
CID 22161084
2-[4-(2-fluorooctoxy)phenyl]-5-(4-undecylphenyl)pyrimidine
CID 54155295

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorohexoxy)-2-(4-undecylphenyl)pyridine?
The IUPAC name of 5-(2-fluorohexoxy)-2-(4-undecylphenyl)pyridine (CID 139772078) is 5-(2-fluorohexoxy)-2-(4-undecylphenyl)pyridine.
What is the SMILES notation for 5-(2-fluorohexoxy)-2-(4-undecylphenyl)pyridine?
The canonical SMILES for 5-(2-fluorohexoxy)-2-(4-undecylphenyl)pyridine is CCCCCCCCCCCc1ccc(-c2ccc(OCC(F)CCCC)cn2)cc1.
What is the InChIKey of 5-(2-fluorohexoxy)-2-(4-undecylphenyl)pyridine?
The InChIKey is JIRXRQLNFAOFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H42FNO/c1-3-5-7-8-9-10-11-12-13-14-24-16-18-25(19-17-24)28-21-20-27(22-30-28)31-23-26(29)15-6-4-2/h16-22,26H,3-15,23H2,1-2H3.
What are the key properties of 5-(2-fluorohexoxy)-2-(4-undecylphenyl)pyridine?
5-(2-fluorohexoxy)-2-(4-undecylphenyl)pyridine has a molecular weight of 427.65 g/mol, XLogP of 8.73, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorohexoxy)-2-(4-undecylphenyl)pyridine is sourced from PubChem (CID 139772078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).