2-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]phenyl]butanoic acid

C17H16F3NO3 — CID 139597010

IUPAC2-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]phenyl]butanoic acid
SMILESCCC(C(=O)O)c1ccccc1COc1cccc(C(F)(F)F)n1
InChIInChI=1S/C17H16F3NO3/c1-2-12(16(22)23)13-7-4-3-6-11(13)10-24-15-9-5-8-14(21-15)17(18,19)20/h3-9,12H,2,10H2,1H3,(H,22,23)
InChIKeyRYWAZELNEFSEPU-UHFFFAOYSA-N
MW339.31 g/mol
LogP4.26
Rot. Bonds6

About 2-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]phenyl]butanoic acid

2-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]phenyl]butanoic acid (PubChem CID 139597010) has the molecular formula C17H16F3NO3 and a molecular weight of 339.31 g/mol. Its IUPAC name is 2-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]phenyl]butanoic acid.

Molecular Properties

Compound Name2-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]phenyl]butanoic acid
PubChem CID139597010
Molecular FormulaC17H16F3NO3
Molecular Weight339.31 g/mol
Exact Mass339.11
IUPAC Name2-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]phenyl]butanoic acid
SMILESCCC(C(=O)O)c1ccccc1COc1cccc(C(F)(F)F)n1
InChIInChI=1S/C17H16F3NO3/c1-2-12(16(22)23)13-7-4-3-6-11(13)10-24-15-9-5-8-14(21-15)17(18,19)20/h3-9,12H,2,10H2,1H3,(H,22,23)
InChIKeyRYWAZELNEFSEPU-UHFFFAOYSA-N
XLogP4.26
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.31
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]phenyl]butanoic acid?
The IUPAC name of 2-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]phenyl]butanoic acid (CID 139597010) is 2-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]phenyl]butanoic acid.
What is the SMILES notation for 2-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]phenyl]butanoic acid?
The canonical SMILES for 2-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]phenyl]butanoic acid is CCC(C(=O)O)c1ccccc1COc1cccc(C(F)(F)F)n1.
What is the InChIKey of 2-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]phenyl]butanoic acid?
The InChIKey is RYWAZELNEFSEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO3/c1-2-12(16(22)23)13-7-4-3-6-11(13)10-24-15-9-5-8-14(21-15)17(18,19)20/h3-9,12H,2,10H2,1H3,(H,22,23).
What are the key properties of 2-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]phenyl]butanoic acid?
2-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]phenyl]butanoic acid has a molecular weight of 339.31 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]phenyl]butanoic acid is sourced from PubChem (CID 139597010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).