1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]ethanol

C12H15ClF3NO2 — CID 106971993

IUPAC1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]ethanol
SMILESCC(C)(C)OCC(O)c1ccc(C(F)(F)F)nc1Cl
InChIInChI=1S/C12H15ClF3NO2/c1-11(2,3)19-6-8(18)7-4-5-9(12(14,15)16)17-10(7)13/h4-5,8,18H,6H2,1-3H3
InChIKeyKUELRPOBTBFXHG-UHFFFAOYSA-N
MW297.70 g/mol
LogP3.60
Rot. Bonds3

About 1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]ethanol

1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]ethanol (PubChem CID 106971993) has the molecular formula C12H15ClF3NO2 and a molecular weight of 297.70 g/mol. Its IUPAC name is 1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]ethanol.

Molecular Properties

Compound Name1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]ethanol
PubChem CID106971993
Molecular FormulaC12H15ClF3NO2
Molecular Weight297.70 g/mol
Exact Mass297.07
IUPAC Name1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]ethanol
SMILESCC(C)(C)OCC(O)c1ccc(C(F)(F)F)nc1Cl
InChIInChI=1S/C12H15ClF3NO2/c1-11(2,3)19-6-8(18)7-4-5-9(12(14,15)16)17-10(7)13/h4-5,8,18H,6H2,1-3H3
InChIKeyKUELRPOBTBFXHG-UHFFFAOYSA-N
XLogP3.60
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.70
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]ethanol?
The IUPAC name of 1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]ethanol (CID 106971993) is 1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]ethanol.
What is the SMILES notation for 1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]ethanol?
The canonical SMILES for 1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]ethanol is CC(C)(C)OCC(O)c1ccc(C(F)(F)F)nc1Cl.
What is the InChIKey of 1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]ethanol?
The InChIKey is KUELRPOBTBFXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClF3NO2/c1-11(2,3)19-6-8(18)7-4-5-9(12(14,15)16)17-10(7)13/h4-5,8,18H,6H2,1-3H3.
What are the key properties of 1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]ethanol?
1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]ethanol has a molecular weight of 297.70 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-2-[(2-methylpropan-2-yl)oxy]ethanol is sourced from PubChem (CID 106971993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).