2-[[3,6-dimethyl-5-(trifluoromethyl)-2-pyridinyl]oxy]ethanol

C10H12F3NO2 — CID 129306783

IUPAC2-[[3,6-dimethyl-5-(trifluoromethyl)-2-pyridinyl]oxy]ethanol
SMILESCc1cc(C(F)(F)F)c(C)nc1OCCO
InChIInChI=1S/C10H12F3NO2/c1-6-5-8(10(11,12)13)7(2)14-9(6)16-4-3-15/h5,15H,3-4H2,1-2H3
InChIKeyDAVRMOBCSRPHND-UHFFFAOYSA-N
MW235.20 g/mol
LogP2.09
Rot. Bonds3

About 2-[[3,6-dimethyl-5-(trifluoromethyl)-2-pyridinyl]oxy]ethanol

2-[[3,6-dimethyl-5-(trifluoromethyl)-2-pyridinyl]oxy]ethanol (PubChem CID 129306783) has the molecular formula C10H12F3NO2 and a molecular weight of 235.20 g/mol. Its IUPAC name is 2-[[3,6-dimethyl-5-(trifluoromethyl)-2-pyridinyl]oxy]ethanol.

Molecular Properties

Compound Name2-[[3,6-dimethyl-5-(trifluoromethyl)-2-pyridinyl]oxy]ethanol
PubChem CID129306783
Molecular FormulaC10H12F3NO2
Molecular Weight235.20 g/mol
Exact Mass235.08
IUPAC Name2-[[3,6-dimethyl-5-(trifluoromethyl)-2-pyridinyl]oxy]ethanol
SMILESCc1cc(C(F)(F)F)c(C)nc1OCCO
InChIInChI=1S/C10H12F3NO2/c1-6-5-8(10(11,12)13)7(2)14-9(6)16-4-3-15/h5,15H,3-4H2,1-2H3
InChIKeyDAVRMOBCSRPHND-UHFFFAOYSA-N
XLogP2.09
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.20
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[3,6-dimethyl-5-(trifluoromethyl)-2-pyridinyl]oxy]ethanol?
The IUPAC name of 2-[[3,6-dimethyl-5-(trifluoromethyl)-2-pyridinyl]oxy]ethanol (CID 129306783) is 2-[[3,6-dimethyl-5-(trifluoromethyl)-2-pyridinyl]oxy]ethanol.
What is the SMILES notation for 2-[[3,6-dimethyl-5-(trifluoromethyl)-2-pyridinyl]oxy]ethanol?
The canonical SMILES for 2-[[3,6-dimethyl-5-(trifluoromethyl)-2-pyridinyl]oxy]ethanol is Cc1cc(C(F)(F)F)c(C)nc1OCCO.
What is the InChIKey of 2-[[3,6-dimethyl-5-(trifluoromethyl)-2-pyridinyl]oxy]ethanol?
The InChIKey is DAVRMOBCSRPHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO2/c1-6-5-8(10(11,12)13)7(2)14-9(6)16-4-3-15/h5,15H,3-4H2,1-2H3.
What are the key properties of 2-[[3,6-dimethyl-5-(trifluoromethyl)-2-pyridinyl]oxy]ethanol?
2-[[3,6-dimethyl-5-(trifluoromethyl)-2-pyridinyl]oxy]ethanol has a molecular weight of 235.20 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3,6-dimethyl-5-(trifluoromethyl)-2-pyridinyl]oxy]ethanol is sourced from PubChem (CID 129306783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).