2-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]propanoate

C10H9F3NO3- — CID 154344368

IUPAC2-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]propanoate
SMILESCC(C)(Oc1cc(C(F)(F)F)ccn1)C(=O)[O-]
InChIInChI=1S/C10H10F3NO3/c1-9(2,8(15)16)17-7-5-6(3-4-14-7)10(11,12)13/h3-5H,1-2H3,(H,15,16)/p-1
InChIKeyNARGBGXBGLUPLB-UHFFFAOYSA-M
MW248.18 g/mol
LogP1.01
Rot. Bonds3

About 2-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]propanoate

2-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]propanoate (PubChem CID 154344368) has the molecular formula C10H9F3NO3- and a molecular weight of 248.18 g/mol. Its IUPAC name is 2-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]propanoate.

Molecular Properties

Compound Name2-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]propanoate
PubChem CID154344368
Molecular FormulaC10H9F3NO3-
Molecular Weight248.18 g/mol
Exact Mass248.05
IUPAC Name2-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]propanoate
SMILESCC(C)(Oc1cc(C(F)(F)F)ccn1)C(=O)[O-]
InChIInChI=1S/C10H10F3NO3/c1-9(2,8(15)16)17-7-5-6(3-4-14-7)10(11,12)13/h3-5H,1-2H3,(H,15,16)/p-1
InChIKeyNARGBGXBGLUPLB-UHFFFAOYSA-M
XLogP1.01
TPSA62.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.18
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]propanoate?
The IUPAC name of 2-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]propanoate (CID 154344368) is 2-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]propanoate.
What is the SMILES notation for 2-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]propanoate?
The canonical SMILES for 2-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]propanoate is CC(C)(Oc1cc(C(F)(F)F)ccn1)C(=O)[O-].
What is the InChIKey of 2-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]propanoate?
The InChIKey is NARGBGXBGLUPLB-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H10F3NO3/c1-9(2,8(15)16)17-7-5-6(3-4-14-7)10(11,12)13/h3-5H,1-2H3,(H,15,16)/p-1.
What are the key properties of 2-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]propanoate?
2-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]propanoate has a molecular weight of 248.18 g/mol, XLogP of 1.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]propanoate is sourced from PubChem (CID 154344368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).