2-[3-fluoro-2-(4-fluorophenyl)-6-(oxan-2-yl)-4-pyridinyl]propan-2-ol

C19H21F2NO2 — CID 175877686

IUPAC2-[3-fluoro-2-(4-fluorophenyl)-6-(oxan-2-yl)-4-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1cc(C2CCCCO2)nc(-c2ccc(F)cc2)c1F
InChIInChI=1S/C19H21F2NO2/c1-19(2,23)14-11-15(16-5-3-4-10-24-16)22-18(17(14)21)12-6-8-13(20)9-7-12/h6-9,11,16,23H,3-5,10H2,1-2H3
InChIKeyKGAZAUWLJBPDHG-UHFFFAOYSA-N
MW333.38 g/mol
LogP4.50
Rot. Bonds3

About 2-[3-fluoro-2-(4-fluorophenyl)-6-(oxan-2-yl)-4-pyridinyl]propan-2-ol

2-[3-fluoro-2-(4-fluorophenyl)-6-(oxan-2-yl)-4-pyridinyl]propan-2-ol (PubChem CID 175877686) has the molecular formula C19H21F2NO2 and a molecular weight of 333.38 g/mol. Its IUPAC name is 2-[3-fluoro-2-(4-fluorophenyl)-6-(oxan-2-yl)-4-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[3-fluoro-2-(4-fluorophenyl)-6-(oxan-2-yl)-4-pyridinyl]propan-2-ol
PubChem CID175877686
Molecular FormulaC19H21F2NO2
Molecular Weight333.38 g/mol
Exact Mass333.15
IUPAC Name2-[3-fluoro-2-(4-fluorophenyl)-6-(oxan-2-yl)-4-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1cc(C2CCCCO2)nc(-c2ccc(F)cc2)c1F
InChIInChI=1S/C19H21F2NO2/c1-19(2,23)14-11-15(16-5-3-4-10-24-16)22-18(17(14)21)12-6-8-13(20)9-7-12/h6-9,11,16,23H,3-5,10H2,1-2H3
InChIKeyKGAZAUWLJBPDHG-UHFFFAOYSA-N
XLogP4.50
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-2-(4-fluorophenyl)-6-(oxan-2-yl)-4-pyridinyl]propan-2-ol?
The IUPAC name of 2-[3-fluoro-2-(4-fluorophenyl)-6-(oxan-2-yl)-4-pyridinyl]propan-2-ol (CID 175877686) is 2-[3-fluoro-2-(4-fluorophenyl)-6-(oxan-2-yl)-4-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[3-fluoro-2-(4-fluorophenyl)-6-(oxan-2-yl)-4-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[3-fluoro-2-(4-fluorophenyl)-6-(oxan-2-yl)-4-pyridinyl]propan-2-ol is CC(C)(O)c1cc(C2CCCCO2)nc(-c2ccc(F)cc2)c1F.
What is the InChIKey of 2-[3-fluoro-2-(4-fluorophenyl)-6-(oxan-2-yl)-4-pyridinyl]propan-2-ol?
The InChIKey is KGAZAUWLJBPDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2NO2/c1-19(2,23)14-11-15(16-5-3-4-10-24-16)22-18(17(14)21)12-6-8-13(20)9-7-12/h6-9,11,16,23H,3-5,10H2,1-2H3.
What are the key properties of 2-[3-fluoro-2-(4-fluorophenyl)-6-(oxan-2-yl)-4-pyridinyl]propan-2-ol?
2-[3-fluoro-2-(4-fluorophenyl)-6-(oxan-2-yl)-4-pyridinyl]propan-2-ol has a molecular weight of 333.38 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-2-(4-fluorophenyl)-6-(oxan-2-yl)-4-pyridinyl]propan-2-ol is sourced from PubChem (CID 175877686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).