2-cyclopropyl-2-ethoxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol

C13H16F3NO2 — CID 102707917

IUPAC2-cyclopropyl-2-ethoxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol
SMILESCCOC(C1CC1)C(O)c1cnccc1C(F)(F)F
InChIInChI=1S/C13H16F3NO2/c1-2-19-12(8-3-4-8)11(18)9-7-17-6-5-10(9)13(14,15)16/h5-8,11-12,18H,2-4H2,1H3
InChIKeyVXXUJPXUUXZDQD-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.95
Rot. Bonds5

About 2-cyclopropyl-2-ethoxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol

2-cyclopropyl-2-ethoxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol (PubChem CID 102707917) has the molecular formula C13H16F3NO2 and a molecular weight of 275.27 g/mol. Its IUPAC name is 2-cyclopropyl-2-ethoxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol.

Molecular Properties

Compound Name2-cyclopropyl-2-ethoxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol
PubChem CID102707917
Molecular FormulaC13H16F3NO2
Molecular Weight275.27 g/mol
Exact Mass275.11
IUPAC Name2-cyclopropyl-2-ethoxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol
SMILESCCOC(C1CC1)C(O)c1cnccc1C(F)(F)F
InChIInChI=1S/C13H16F3NO2/c1-2-19-12(8-3-4-8)11(18)9-7-17-6-5-10(9)13(14,15)16/h5-8,11-12,18H,2-4H2,1H3
InChIKeyVXXUJPXUUXZDQD-UHFFFAOYSA-N
XLogP2.95
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-cyclopropyl-2-ethoxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclohexyl-2-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol
CID 102707932
2-ethoxy-1-[4-(trifluoromethyl)-3-pyridinyl]pentan-1-ol
CID 102707914
N-[2-cyclopropyl-2-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethyl]propan-1-amine
CID 102708548
4-ethoxy-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-ol
CID 102710133
[4-(trifluoromethyl)-3-pyridinyl]methanediol
CID 162592484
(3-ethylcyclopentyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708268
piperidin-4-yl-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 102707413
[2-ethoxy-1-[4-(trifluoromethyl)-3-pyridinyl]propyl]hydrazine
CID 102710327
2-(cyclopropylamino)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol
CID 102709143
4-(methylamino)-1-[4-(trifluoromethyl)-3-pyridinyl]butane-1,2-diol
CID 171890626
2-cyclopropyl-1-(2,5-dimethylphenyl)-2-ethoxyethanol
CID 116712968
1-[4-(trifluoromethyl)-3-pyridinyl]nonan-1-ol
CID 102710219

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-ethoxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol?
The IUPAC name of 2-cyclopropyl-2-ethoxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol (CID 102707917) is 2-cyclopropyl-2-ethoxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol.
What is the SMILES notation for 2-cyclopropyl-2-ethoxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol?
The canonical SMILES for 2-cyclopropyl-2-ethoxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol is CCOC(C1CC1)C(O)c1cnccc1C(F)(F)F.
What is the InChIKey of 2-cyclopropyl-2-ethoxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol?
The InChIKey is VXXUJPXUUXZDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO2/c1-2-19-12(8-3-4-8)11(18)9-7-17-6-5-10(9)13(14,15)16/h5-8,11-12,18H,2-4H2,1H3.
What are the key properties of 2-cyclopropyl-2-ethoxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol?
2-cyclopropyl-2-ethoxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol has a molecular weight of 275.27 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-ethoxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol is sourced from PubChem (CID 102707917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).