2-ethoxy-5-[1,1,1-trifluoro-5-(3-phenoxyphenyl)pentan-2-yl]pyridine

C24H24F3NO2 — CID 14726689

IUPAC2-ethoxy-5-[1,1,1-trifluoro-5-(3-phenoxyphenyl)pentan-2-yl]pyridine
SMILESCCOc1ccc(C(CCCc2cccc(Oc3ccccc3)c2)C(F)(F)F)cn1
InChIInChI=1S/C24H24F3NO2/c1-2-29-23-15-14-19(17-28-23)22(24(25,26)27)13-7-9-18-8-6-12-21(16-18)30-20-10-4-3-5-11-20/h3-6,8,10-12,14-17,22H,2,7,9,13H2,1H3
InChIKeyJGTQMLUIPFZHLQ-UHFFFAOYSA-N
MW415.46 g/mol
LogP6.94
Rot. Bonds9

About 2-ethoxy-5-[1,1,1-trifluoro-5-(3-phenoxyphenyl)pentan-2-yl]pyridine

2-ethoxy-5-[1,1,1-trifluoro-5-(3-phenoxyphenyl)pentan-2-yl]pyridine (PubChem CID 14726689) has the molecular formula C24H24F3NO2 and a molecular weight of 415.46 g/mol. Its IUPAC name is 2-ethoxy-5-[1,1,1-trifluoro-5-(3-phenoxyphenyl)pentan-2-yl]pyridine.

Molecular Properties

Compound Name2-ethoxy-5-[1,1,1-trifluoro-5-(3-phenoxyphenyl)pentan-2-yl]pyridine
PubChem CID14726689
Molecular FormulaC24H24F3NO2
Molecular Weight415.46 g/mol
Exact Mass415.18
IUPAC Name2-ethoxy-5-[1,1,1-trifluoro-5-(3-phenoxyphenyl)pentan-2-yl]pyridine
SMILESCCOc1ccc(C(CCCc2cccc(Oc3ccccc3)c2)C(F)(F)F)cn1
InChIInChI=1S/C24H24F3NO2/c1-2-29-23-15-14-19(17-28-23)22(24(25,26)27)13-7-9-18-8-6-12-21(16-18)30-20-10-4-3-5-11-20/h3-6,8,10-12,14-17,22H,2,7,9,13H2,1H3
InChIKeyJGTQMLUIPFZHLQ-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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Related Compounds

2-ethoxy-1,3-difluoro-5-[1,1,1-trifluoro-5-(3-phenoxyphenyl)pentan-2-yl]benzene
CID 21282128
1-phenoxy-3-[5,5,5-trifluoro-4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]pentyl]benzene
CID 21282141
1-(5-fluoro-4-methylpentyl)-3-phenoxybenzene
CID 151721910
1-phenoxy-3-(3-phenylpropyl)benzene
CID 173282204
1-(3-chloropropyl)-3-phenoxybenzene
CID 14030253
1-ethoxy-4-[1,1,1-trifluoro-3-[[3-[4-(trifluoromethyl)phenoxy]phenyl]methoxy]propan-2-yl]benzene
CID 14580816
1-phenoxy-3-[2-(3-phenoxyphenyl)ethyl]benzene
CID 3046200
(2S)-2-[(2S)-2-(4-ethoxyphenyl)-3,3,3-trifluoropropoxy]-2-(3-phenoxyphenyl)acetonitrile
CID 67877867
6-[3-(4-chlorophenoxy)phenyl]hexan-3-ylphosphane
CID 91091253
1-phenoxy-3-[[(2S)-3,3,3-trifluoro-2-[4-(trifluoromethyl)phenyl]propoxy]methyl]benzene
CID 88526871
5-[1,1,1-trifluoro-5-(4-fluoro-3-phenoxyphenyl)pentan-2-yl]-1,3-benzodioxole
CID 14278582
1-(4-methylphenyl)-3-(3-phenoxyphenyl)propan-1-ol
CID 82185660

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-5-[1,1,1-trifluoro-5-(3-phenoxyphenyl)pentan-2-yl]pyridine?
The IUPAC name of 2-ethoxy-5-[1,1,1-trifluoro-5-(3-phenoxyphenyl)pentan-2-yl]pyridine (CID 14726689) is 2-ethoxy-5-[1,1,1-trifluoro-5-(3-phenoxyphenyl)pentan-2-yl]pyridine.
What is the SMILES notation for 2-ethoxy-5-[1,1,1-trifluoro-5-(3-phenoxyphenyl)pentan-2-yl]pyridine?
The canonical SMILES for 2-ethoxy-5-[1,1,1-trifluoro-5-(3-phenoxyphenyl)pentan-2-yl]pyridine is CCOc1ccc(C(CCCc2cccc(Oc3ccccc3)c2)C(F)(F)F)cn1.
What is the InChIKey of 2-ethoxy-5-[1,1,1-trifluoro-5-(3-phenoxyphenyl)pentan-2-yl]pyridine?
The InChIKey is JGTQMLUIPFZHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3NO2/c1-2-29-23-15-14-19(17-28-23)22(24(25,26)27)13-7-9-18-8-6-12-21(16-18)30-20-10-4-3-5-11-20/h3-6,8,10-12,14-17,22H,2,7,9,13H2,1H3.
What are the key properties of 2-ethoxy-5-[1,1,1-trifluoro-5-(3-phenoxyphenyl)pentan-2-yl]pyridine?
2-ethoxy-5-[1,1,1-trifluoro-5-(3-phenoxyphenyl)pentan-2-yl]pyridine 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-ethoxy-5-[1,1,1-trifluoro-5-(3-phenoxyphenyl)pentan-2-yl]pyridine is sourced from PubChem (CID 14726689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).