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

C13H18F3NO2 — CID 102707914

IUPAC2-ethoxy-1-[4-(trifluoromethyl)-3-pyridinyl]pentan-1-ol
SMILESCCCC(OCC)C(O)c1cnccc1C(F)(F)F
InChIInChI=1S/C13H18F3NO2/c1-3-5-11(19-4-2)12(18)9-8-17-7-6-10(9)13(14,15)16/h6-8,11-12,18H,3-5H2,1-2H3
InChIKeyCYJPWYXDTZJQQM-UHFFFAOYSA-N
MW277.29 g/mol
LogP3.34
Rot. Bonds6

About 2-ethoxy-1-[4-(trifluoromethyl)-3-pyridinyl]pentan-1-ol

2-ethoxy-1-[4-(trifluoromethyl)-3-pyridinyl]pentan-1-ol (PubChem CID 102707914) has the molecular formula C13H18F3NO2 and a molecular weight of 277.29 g/mol. Its IUPAC name is 2-ethoxy-1-[4-(trifluoromethyl)-3-pyridinyl]pentan-1-ol.

Molecular Properties

Compound Name2-ethoxy-1-[4-(trifluoromethyl)-3-pyridinyl]pentan-1-ol
PubChem CID102707914
Molecular FormulaC13H18F3NO2
Molecular Weight277.29 g/mol
Exact Mass277.13
IUPAC Name2-ethoxy-1-[4-(trifluoromethyl)-3-pyridinyl]pentan-1-ol
SMILESCCCC(OCC)C(O)c1cnccc1C(F)(F)F
InChIInChI=1S/C13H18F3NO2/c1-3-5-11(19-4-2)12(18)9-8-17-7-6-10(9)13(14,15)16/h6-8,11-12,18H,3-5H2,1-2H3
InChIKeyCYJPWYXDTZJQQM-UHFFFAOYSA-N
XLogP3.34
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-2-ethoxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol
CID 102707917
1-[4-(trifluoromethyl)-3-pyridinyl]nonan-1-ol
CID 102710219
1-[4-(trifluoromethyl)-3-pyridinyl]heptan-1-ol
CID 102707324
4-ethoxy-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-ol
CID 102710133
[2-ethoxy-1-[4-(trifluoromethyl)-3-pyridinyl]propyl]hydrazine
CID 102710327
N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-amine
CID 102708033
4-(methylamino)-1-[4-(trifluoromethyl)-3-pyridinyl]butane-1,2-diol
CID 171890626
[4-(trifluoromethyl)-3-pyridinyl]methanediol
CID 162592484
4,4-dimethyl-1-[4-(trifluoromethyl)-3-pyridinyl]pentan-1-ol
CID 114211469
3,4-dihydroxy-4-[4-(trifluoromethyl)-3-pyridinyl]butanoic acid
CID 171878084
[2-ethoxy-3-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]butyl]hydrazine
CID 102710430
2-ethoxy-1-(2,3,4-trifluorophenyl)pentan-1-ol
CID 116711321

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-[4-(trifluoromethyl)-3-pyridinyl]pentan-1-ol?
The IUPAC name of 2-ethoxy-1-[4-(trifluoromethyl)-3-pyridinyl]pentan-1-ol (CID 102707914) is 2-ethoxy-1-[4-(trifluoromethyl)-3-pyridinyl]pentan-1-ol.
What is the SMILES notation for 2-ethoxy-1-[4-(trifluoromethyl)-3-pyridinyl]pentan-1-ol?
The canonical SMILES for 2-ethoxy-1-[4-(trifluoromethyl)-3-pyridinyl]pentan-1-ol is CCCC(OCC)C(O)c1cnccc1C(F)(F)F.
What is the InChIKey of 2-ethoxy-1-[4-(trifluoromethyl)-3-pyridinyl]pentan-1-ol?
The InChIKey is CYJPWYXDTZJQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO2/c1-3-5-11(19-4-2)12(18)9-8-17-7-6-10(9)13(14,15)16/h6-8,11-12,18H,3-5H2,1-2H3.
What are the key properties of 2-ethoxy-1-[4-(trifluoromethyl)-3-pyridinyl]pentan-1-ol?
2-ethoxy-1-[4-(trifluoromethyl)-3-pyridinyl]pentan-1-ol has a molecular weight of 277.29 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-[4-(trifluoromethyl)-3-pyridinyl]pentan-1-ol is sourced from PubChem (CID 102707914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).