3-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]cyclobutan-1-ol

C11H12F3NO2 — CID 106823883

IUPAC3-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]cyclobutan-1-ol
SMILESCOC1CC(O)(c2cnccc2C(F)(F)F)C1
InChIInChI=1S/C11H12F3NO2/c1-17-7-4-10(16,5-7)9-6-15-3-2-8(9)11(12,13)14/h2-3,6-7,16H,4-5H2,1H3
InChIKeyLVPJCORDQTVBPZ-UHFFFAOYSA-N
MW247.22 g/mol
LogP2.10
Rot. Bonds2

About 3-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]cyclobutan-1-ol

3-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]cyclobutan-1-ol (PubChem CID 106823883) has the molecular formula C11H12F3NO2 and a molecular weight of 247.22 g/mol. Its IUPAC name is 3-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]cyclobutan-1-ol
PubChem CID106823883
Molecular FormulaC11H12F3NO2
Molecular Weight247.22 g/mol
Exact Mass247.08
IUPAC Name3-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]cyclobutan-1-ol
SMILESCOC1CC(O)(c2cnccc2C(F)(F)F)C1
InChIInChI=1S/C11H12F3NO2/c1-17-7-4-10(16,5-7)9-6-15-3-2-8(9)11(12,13)14/h2-3,6-7,16H,4-5H2,1H3
InChIKeyLVPJCORDQTVBPZ-UHFFFAOYSA-N
XLogP2.10
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]cyclobutan-1-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]cyclobutan-1-ol?
The IUPAC name of 3-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]cyclobutan-1-ol (CID 106823883) is 3-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]cyclobutan-1-ol.
What is the SMILES notation for 3-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]cyclobutan-1-ol?
The canonical SMILES for 3-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]cyclobutan-1-ol is COC1CC(O)(c2cnccc2C(F)(F)F)C1.
What is the InChIKey of 3-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]cyclobutan-1-ol?
The InChIKey is LVPJCORDQTVBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO2/c1-17-7-4-10(16,5-7)9-6-15-3-2-8(9)11(12,13)14/h2-3,6-7,16H,4-5H2,1H3.
What are the key properties of 3-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]cyclobutan-1-ol?
3-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]cyclobutan-1-ol has a molecular weight of 247.22 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]cyclobutan-1-ol is sourced from PubChem (CID 106823883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).