2-[4-(4-ethoxyphenyl)-5,5,5-trifluoropentyl]-6-phenoxypyridine

C24H24F3NO2 — CID 21252216

IUPAC2-[4-(4-ethoxyphenyl)-5,5,5-trifluoropentyl]-6-phenoxypyridine
SMILESCCOc1ccc(C(CCCc2cccc(Oc3ccccc3)n2)C(F)(F)F)cc1
InChIInChI=1S/C24H24F3NO2/c1-2-29-20-16-14-18(15-17-20)22(24(25,26)27)12-6-8-19-9-7-13-23(28-19)30-21-10-4-3-5-11-21/h3-5,7,9-11,13-17,22H,2,6,8,12H2,1H3
InChIKeyUAJBGCQULBAVRZ-UHFFFAOYSA-N
MW415.46 g/mol
LogP6.94
Rot. Bonds9

About 2-[4-(4-ethoxyphenyl)-5,5,5-trifluoropentyl]-6-phenoxypyridine

2-[4-(4-ethoxyphenyl)-5,5,5-trifluoropentyl]-6-phenoxypyridine (PubChem CID 21252216) has the molecular formula C24H24F3NO2 and a molecular weight of 415.46 g/mol. Its IUPAC name is 2-[4-(4-ethoxyphenyl)-5,5,5-trifluoropentyl]-6-phenoxypyridine.

Molecular Properties

Compound Name2-[4-(4-ethoxyphenyl)-5,5,5-trifluoropentyl]-6-phenoxypyridine
PubChem CID21252216
Molecular FormulaC24H24F3NO2
Molecular Weight415.46 g/mol
Exact Mass415.18
IUPAC Name2-[4-(4-ethoxyphenyl)-5,5,5-trifluoropentyl]-6-phenoxypyridine
SMILESCCOc1ccc(C(CCCc2cccc(Oc3ccccc3)n2)C(F)(F)F)cc1
InChIInChI=1S/C24H24F3NO2/c1-2-29-20-16-14-18(15-17-20)22(24(25,26)27)12-6-8-19-9-7-13-23(28-19)30-21-10-4-3-5-11-21/h3-5,7,9-11,13-17,22H,2,6,8,12H2,1H3
InChIKeyUAJBGCQULBAVRZ-UHFFFAOYSA-N
XLogP6.94
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.46
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethoxyphenyl)-5,5,5-trifluoropentyl]-6-phenoxypyridine?
The IUPAC name of 2-[4-(4-ethoxyphenyl)-5,5,5-trifluoropentyl]-6-phenoxypyridine (CID 21252216) is 2-[4-(4-ethoxyphenyl)-5,5,5-trifluoropentyl]-6-phenoxypyridine.
What is the SMILES notation for 2-[4-(4-ethoxyphenyl)-5,5,5-trifluoropentyl]-6-phenoxypyridine?
The canonical SMILES for 2-[4-(4-ethoxyphenyl)-5,5,5-trifluoropentyl]-6-phenoxypyridine is CCOc1ccc(C(CCCc2cccc(Oc3ccccc3)n2)C(F)(F)F)cc1.
What is the InChIKey of 2-[4-(4-ethoxyphenyl)-5,5,5-trifluoropentyl]-6-phenoxypyridine?
The InChIKey is UAJBGCQULBAVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3NO2/c1-2-29-20-16-14-18(15-17-20)22(24(25,26)27)12-6-8-19-9-7-13-23(28-19)30-21-10-4-3-5-11-21/h3-5,7,9-11,13-17,22H,2,6,8,12H2,1H3.
What are the key properties of 2-[4-(4-ethoxyphenyl)-5,5,5-trifluoropentyl]-6-phenoxypyridine?
2-[4-(4-ethoxyphenyl)-5,5,5-trifluoropentyl]-6-phenoxypyridine has a molecular weight of 415.46 g/mol, XLogP of 6.94, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethoxyphenyl)-5,5,5-trifluoropentyl]-6-phenoxypyridine is sourced from PubChem (CID 21252216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).