[2-cyclobutyloxy-6-(trifluoromethyl)-3-pyridinyl]methanol

C11H12F3NO2 — CID 139377131

IUPAC[2-cyclobutyloxy-6-(trifluoromethyl)-3-pyridinyl]methanol
SMILESOCc1ccc(C(F)(F)F)nc1OC1CCC1
InChIInChI=1S/C11H12F3NO2/c12-11(13,14)9-5-4-7(6-16)10(15-9)17-8-2-1-3-8/h4-5,8,16H,1-3,6H2
InChIKeyFCIUEQUUXJSJTG-UHFFFAOYSA-N
MW247.22 g/mol
LogP2.52
Rot. Bonds3

About [2-cyclobutyloxy-6-(trifluoromethyl)-3-pyridinyl]methanol

[2-cyclobutyloxy-6-(trifluoromethyl)-3-pyridinyl]methanol (PubChem CID 139377131) has the molecular formula C11H12F3NO2 and a molecular weight of 247.22 g/mol. Its IUPAC name is [2-cyclobutyloxy-6-(trifluoromethyl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[2-cyclobutyloxy-6-(trifluoromethyl)-3-pyridinyl]methanol
PubChem CID139377131
Molecular FormulaC11H12F3NO2
Molecular Weight247.22 g/mol
Exact Mass247.08
IUPAC Name[2-cyclobutyloxy-6-(trifluoromethyl)-3-pyridinyl]methanol
SMILESOCc1ccc(C(F)(F)F)nc1OC1CCC1
InChIInChI=1S/C11H12F3NO2/c12-11(13,14)9-5-4-7(6-16)10(15-9)17-8-2-1-3-8/h4-5,8,16H,1-3,6H2
InChIKeyFCIUEQUUXJSJTG-UHFFFAOYSA-N
XLogP2.52
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-cyclobutyloxy-6-(trifluoromethyl)-3-pyridinyl]methanol?
The IUPAC name of [2-cyclobutyloxy-6-(trifluoromethyl)-3-pyridinyl]methanol (CID 139377131) is [2-cyclobutyloxy-6-(trifluoromethyl)-3-pyridinyl]methanol.
What is the SMILES notation for [2-cyclobutyloxy-6-(trifluoromethyl)-3-pyridinyl]methanol?
The canonical SMILES for [2-cyclobutyloxy-6-(trifluoromethyl)-3-pyridinyl]methanol is OCc1ccc(C(F)(F)F)nc1OC1CCC1.
What is the InChIKey of [2-cyclobutyloxy-6-(trifluoromethyl)-3-pyridinyl]methanol?
The InChIKey is FCIUEQUUXJSJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO2/c12-11(13,14)9-5-4-7(6-16)10(15-9)17-8-2-1-3-8/h4-5,8,16H,1-3,6H2.
What are the key properties of [2-cyclobutyloxy-6-(trifluoromethyl)-3-pyridinyl]methanol?
[2-cyclobutyloxy-6-(trifluoromethyl)-3-pyridinyl]methanol has a molecular weight of 247.22 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-cyclobutyloxy-6-(trifluoromethyl)-3-pyridinyl]methanol is sourced from PubChem (CID 139377131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).