2-[2-[4-(6-cyclobutyloxy-2-pyridinyl)phenyl]-2,2-difluoroethoxy]acetic acid

C19H19F2NO4 — CID 121447418

IUPAC2-[2-[4-(6-cyclobutyloxy-2-pyridinyl)phenyl]-2,2-difluoroethoxy]acetic acid
SMILESO=C(O)COCC(F)(F)c1ccc(-c2cccc(OC3CCC3)n2)cc1
InChIInChI=1S/C19H19F2NO4/c20-19(21,12-25-11-18(23)24)14-9-7-13(8-10-14)16-5-2-6-17(22-16)26-15-3-1-4-15/h2,5-10,15H,1,3-4,11-12H2,(H,23,24)
InChIKeyPZTHAJOIFPZKKH-UHFFFAOYSA-N
MW363.36 g/mol
LogP3.87
Rot. Bonds8

About 2-[2-[4-(6-cyclobutyloxy-2-pyridinyl)phenyl]-2,2-difluoroethoxy]acetic acid

2-[2-[4-(6-cyclobutyloxy-2-pyridinyl)phenyl]-2,2-difluoroethoxy]acetic acid (PubChem CID 121447418) has the molecular formula C19H19F2NO4 and a molecular weight of 363.36 g/mol. Its IUPAC name is 2-[2-[4-(6-cyclobutyloxy-2-pyridinyl)phenyl]-2,2-difluoroethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[4-(6-cyclobutyloxy-2-pyridinyl)phenyl]-2,2-difluoroethoxy]acetic acid
PubChem CID121447418
Molecular FormulaC19H19F2NO4
Molecular Weight363.36 g/mol
Exact Mass363.13
IUPAC Name2-[2-[4-(6-cyclobutyloxy-2-pyridinyl)phenyl]-2,2-difluoroethoxy]acetic acid
SMILESO=C(O)COCC(F)(F)c1ccc(-c2cccc(OC3CCC3)n2)cc1
InChIInChI=1S/C19H19F2NO4/c20-19(21,12-25-11-18(23)24)14-9-7-13(8-10-14)16-5-2-6-17(22-16)26-15-3-1-4-15/h2,5-10,15H,1,3-4,11-12H2,(H,23,24)
InChIKeyPZTHAJOIFPZKKH-UHFFFAOYSA-N
XLogP3.87
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.36
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(6-cyclobutyloxy-2-pyridinyl)phenyl]-2,2-difluoroethoxy]acetic acid?
The IUPAC name of 2-[2-[4-(6-cyclobutyloxy-2-pyridinyl)phenyl]-2,2-difluoroethoxy]acetic acid (CID 121447418) is 2-[2-[4-(6-cyclobutyloxy-2-pyridinyl)phenyl]-2,2-difluoroethoxy]acetic acid.
What is the SMILES notation for 2-[2-[4-(6-cyclobutyloxy-2-pyridinyl)phenyl]-2,2-difluoroethoxy]acetic acid?
The canonical SMILES for 2-[2-[4-(6-cyclobutyloxy-2-pyridinyl)phenyl]-2,2-difluoroethoxy]acetic acid is O=C(O)COCC(F)(F)c1ccc(-c2cccc(OC3CCC3)n2)cc1.
What is the InChIKey of 2-[2-[4-(6-cyclobutyloxy-2-pyridinyl)phenyl]-2,2-difluoroethoxy]acetic acid?
The InChIKey is PZTHAJOIFPZKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2NO4/c20-19(21,12-25-11-18(23)24)14-9-7-13(8-10-14)16-5-2-6-17(22-16)26-15-3-1-4-15/h2,5-10,15H,1,3-4,11-12H2,(H,23,24).
What are the key properties of 2-[2-[4-(6-cyclobutyloxy-2-pyridinyl)phenyl]-2,2-difluoroethoxy]acetic acid?
2-[2-[4-(6-cyclobutyloxy-2-pyridinyl)phenyl]-2,2-difluoroethoxy]acetic acid has a molecular weight of 363.36 g/mol, XLogP of 3.87, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(6-cyclobutyloxy-2-pyridinyl)phenyl]-2,2-difluoroethoxy]acetic acid is sourced from PubChem (CID 121447418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).