4-ethoxy-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-ol

C12H16F3NO2 — CID 102710133

IUPAC4-ethoxy-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-ol
SMILESCCOCCCC(O)c1cnccc1C(F)(F)F
InChIInChI=1S/C12H16F3NO2/c1-2-18-7-3-4-11(17)9-8-16-6-5-10(9)12(13,14)15/h5-6,8,11,17H,2-4,7H2,1H3
InChIKeyUVKGMLIQTFZLLE-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.95
Rot. Bonds6

About 4-ethoxy-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-ol

4-ethoxy-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-ol (PubChem CID 102710133) has the molecular formula C12H16F3NO2 and a molecular weight of 263.26 g/mol. Its IUPAC name is 4-ethoxy-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-ol.

Molecular Properties

Compound Name4-ethoxy-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-ol
PubChem CID102710133
Molecular FormulaC12H16F3NO2
Molecular Weight263.26 g/mol
Exact Mass263.11
IUPAC Name4-ethoxy-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-ol
SMILESCCOCCCC(O)c1cnccc1C(F)(F)F
InChIInChI=1S/C12H16F3NO2/c1-2-18-7-3-4-11(17)9-8-16-6-5-10(9)12(13,14)15/h5-6,8,11,17H,2-4,7H2,1H3
InChIKeyUVKGMLIQTFZLLE-UHFFFAOYSA-N
XLogP2.95
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(trifluoromethyl)-3-pyridinyl]nonan-1-ol
CID 102710219
1-[4-(trifluoromethyl)-3-pyridinyl]heptan-1-ol
CID 102707324
4-ethoxy-1-(4-methyl-3-pyridinyl)butan-1-ol
CID 105110901
3-(2,2-difluoroethoxy)-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-ol
CID 103147785
4,4-dimethyl-1-[4-(trifluoromethyl)-3-pyridinyl]pentan-1-ol
CID 114211469
3-ethoxy-1-[2-(trifluoromethyl)phenyl]propan-1-ol
CID 105096259
3-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-ol
CID 102707904
2-ethoxy-1-[4-(trifluoromethyl)-3-pyridinyl]pentan-1-ol
CID 102707914
4-ethoxy-1-isoquinolin-5-ylbutan-1-ol
CID 105094595
3-pyridin-3-yl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-ol
CID 102710209
2-cyclopropyl-2-ethoxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol
CID 102707917
[4-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]butyl]hydrazine
CID 102710333

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-ol?
The IUPAC name of 4-ethoxy-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-ol (CID 102710133) is 4-ethoxy-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-ol.
What is the SMILES notation for 4-ethoxy-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-ol?
The canonical SMILES for 4-ethoxy-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-ol is CCOCCCC(O)c1cnccc1C(F)(F)F.
What is the InChIKey of 4-ethoxy-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-ol?
The InChIKey is UVKGMLIQTFZLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO2/c1-2-18-7-3-4-11(17)9-8-16-6-5-10(9)12(13,14)15/h5-6,8,11,17H,2-4,7H2,1H3.
What are the key properties of 4-ethoxy-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-ol?
4-ethoxy-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-ol has a molecular weight of 263.26 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-ol is sourced from PubChem (CID 102710133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).