2-[[6-methyl-3-propan-2-yl-5-(trifluoromethyl)-2-pyridinyl]oxy]ethanol

C12H16F3NO2 — CID 129306784

IUPAC2-[[6-methyl-3-propan-2-yl-5-(trifluoromethyl)-2-pyridinyl]oxy]ethanol
SMILESCc1nc(OCCO)c(C(C)C)cc1C(F)(F)F
InChIInChI=1S/C12H16F3NO2/c1-7(2)9-6-10(12(13,14)15)8(3)16-11(9)18-5-4-17/h6-7,17H,4-5H2,1-3H3
InChIKeyBHSJUBKJCDAROD-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.90
Rot. Bonds4

About 2-[[6-methyl-3-propan-2-yl-5-(trifluoromethyl)-2-pyridinyl]oxy]ethanol

2-[[6-methyl-3-propan-2-yl-5-(trifluoromethyl)-2-pyridinyl]oxy]ethanol (PubChem CID 129306784) has the molecular formula C12H16F3NO2 and a molecular weight of 263.26 g/mol. Its IUPAC name is 2-[[6-methyl-3-propan-2-yl-5-(trifluoromethyl)-2-pyridinyl]oxy]ethanol.

Molecular Properties

Compound Name2-[[6-methyl-3-propan-2-yl-5-(trifluoromethyl)-2-pyridinyl]oxy]ethanol
PubChem CID129306784
Molecular FormulaC12H16F3NO2
Molecular Weight263.26 g/mol
Exact Mass263.11
IUPAC Name2-[[6-methyl-3-propan-2-yl-5-(trifluoromethyl)-2-pyridinyl]oxy]ethanol
SMILESCc1nc(OCCO)c(C(C)C)cc1C(F)(F)F
InChIInChI=1S/C12H16F3NO2/c1-7(2)9-6-10(12(13,14)15)8(3)16-11(9)18-5-4-17/h6-7,17H,4-5H2,1-3H3
InChIKeyBHSJUBKJCDAROD-UHFFFAOYSA-N
XLogP2.90
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-methyl-3-propan-2-yl-5-(trifluoromethyl)-2-pyridinyl]oxy]ethanol?
The IUPAC name of 2-[[6-methyl-3-propan-2-yl-5-(trifluoromethyl)-2-pyridinyl]oxy]ethanol (CID 129306784) is 2-[[6-methyl-3-propan-2-yl-5-(trifluoromethyl)-2-pyridinyl]oxy]ethanol.
What is the SMILES notation for 2-[[6-methyl-3-propan-2-yl-5-(trifluoromethyl)-2-pyridinyl]oxy]ethanol?
The canonical SMILES for 2-[[6-methyl-3-propan-2-yl-5-(trifluoromethyl)-2-pyridinyl]oxy]ethanol is Cc1nc(OCCO)c(C(C)C)cc1C(F)(F)F.
What is the InChIKey of 2-[[6-methyl-3-propan-2-yl-5-(trifluoromethyl)-2-pyridinyl]oxy]ethanol?
The InChIKey is BHSJUBKJCDAROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO2/c1-7(2)9-6-10(12(13,14)15)8(3)16-11(9)18-5-4-17/h6-7,17H,4-5H2,1-3H3.
What are the key properties of 2-[[6-methyl-3-propan-2-yl-5-(trifluoromethyl)-2-pyridinyl]oxy]ethanol?
2-[[6-methyl-3-propan-2-yl-5-(trifluoromethyl)-2-pyridinyl]oxy]ethanol has a molecular weight of 263.26 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-methyl-3-propan-2-yl-5-(trifluoromethyl)-2-pyridinyl]oxy]ethanol is sourced from PubChem (CID 129306784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).