2-[[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]oxy]ethanol;ethane

C12H18F3NO2 — CID 144913073

IUPAC2-[[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]oxy]ethanol;ethane
SMILESCC.Cc1c(C(F)(F)F)cnc(OCCO)c1C
InChIInChI=1S/C10H12F3NO2.C2H6/c1-6-7(2)9(16-4-3-15)14-5-8(6)10(11,12)13;1-2/h5,15H,3-4H2,1-2H3;1-2H3
InChIKeyXZHKAGZHNLFKOJ-UHFFFAOYSA-N
MW265.27 g/mol
LogP3.11
Rot. Bonds3

About 2-[[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]oxy]ethanol;ethane

2-[[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]oxy]ethanol;ethane (PubChem CID 144913073) has the molecular formula C12H18F3NO2 and a molecular weight of 265.27 g/mol. Its IUPAC name is 2-[[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]oxy]ethanol;ethane.

Molecular Properties

Compound Name2-[[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]oxy]ethanol;ethane
PubChem CID144913073
Molecular FormulaC12H18F3NO2
Molecular Weight265.27 g/mol
Exact Mass265.13
IUPAC Name2-[[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]oxy]ethanol;ethane
SMILESCC.Cc1c(C(F)(F)F)cnc(OCCO)c1C
InChIInChI=1S/C10H12F3NO2.C2H6/c1-6-7(2)9(16-4-3-15)14-5-8(6)10(11,12)13;1-2/h5,15H,3-4H2,1-2H3;1-2H3
InChIKeyXZHKAGZHNLFKOJ-UHFFFAOYSA-N
XLogP3.11
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]oxy]ethanol;ethane?
The IUPAC name of 2-[[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]oxy]ethanol;ethane (CID 144913073) is 2-[[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]oxy]ethanol;ethane.
What is the SMILES notation for 2-[[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]oxy]ethanol;ethane?
The canonical SMILES for 2-[[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]oxy]ethanol;ethane is CC.Cc1c(C(F)(F)F)cnc(OCCO)c1C.
What is the InChIKey of 2-[[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]oxy]ethanol;ethane?
The InChIKey is XZHKAGZHNLFKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO2.C2H6/c1-6-7(2)9(16-4-3-15)14-5-8(6)10(11,12)13;1-2/h5,15H,3-4H2,1-2H3;1-2H3.
What are the key properties of 2-[[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]oxy]ethanol;ethane?
2-[[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]oxy]ethanol;ethane has a molecular weight of 265.27 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3,4-dimethyl-5-(trifluoromethyl)-2-pyridinyl]oxy]ethanol;ethane is sourced from PubChem (CID 144913073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).