2,2,3,3,3-pentafluoro-1-(4-methylphenyl)-1-pyridin-3-ylpropan-1-ol

C15H12F5NO — CID 162511631

IUPAC2,2,3,3,3-pentafluoro-1-(4-methylphenyl)-1-pyridin-3-ylpropan-1-ol
SMILESCc1ccc(C(O)(c2cccnc2)C(F)(F)C(F)(F)F)cc1
InChIInChI=1S/C15H12F5NO/c1-10-4-6-11(7-5-10)13(22,12-3-2-8-21-9-12)14(16,17)15(18,19)20/h2-9,22H,1H3
InChIKeyAPIBLSDYBQFTSF-UHFFFAOYSA-N
MW317.26 g/mol
LogP3.82
Rot. Bonds3

About 2,2,3,3,3-pentafluoro-1-(4-methylphenyl)-1-pyridin-3-ylpropan-1-ol

2,2,3,3,3-pentafluoro-1-(4-methylphenyl)-1-pyridin-3-ylpropan-1-ol (PubChem CID 162511631) has the molecular formula C15H12F5NO and a molecular weight of 317.26 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-1-(4-methylphenyl)-1-pyridin-3-ylpropan-1-ol.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-1-(4-methylphenyl)-1-pyridin-3-ylpropan-1-ol
PubChem CID162511631
Molecular FormulaC15H12F5NO
Molecular Weight317.26 g/mol
Exact Mass317.08
IUPAC Name2,2,3,3,3-pentafluoro-1-(4-methylphenyl)-1-pyridin-3-ylpropan-1-ol
SMILESCc1ccc(C(O)(c2cccnc2)C(F)(F)C(F)(F)F)cc1
InChIInChI=1S/C15H12F5NO/c1-10-4-6-11(7-5-10)13(22,12-3-2-8-21-9-12)14(16,17)15(18,19)20/h2-9,22H,1H3
InChIKeyAPIBLSDYBQFTSF-UHFFFAOYSA-N
XLogP3.82
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.26
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentafluoro-1-(4-methylphenyl)-1-pyridin-3-ylpropan-1-ol?
The IUPAC name of 2,2,3,3,3-pentafluoro-1-(4-methylphenyl)-1-pyridin-3-ylpropan-1-ol (CID 162511631) is 2,2,3,3,3-pentafluoro-1-(4-methylphenyl)-1-pyridin-3-ylpropan-1-ol.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-1-(4-methylphenyl)-1-pyridin-3-ylpropan-1-ol?
The canonical SMILES for 2,2,3,3,3-pentafluoro-1-(4-methylphenyl)-1-pyridin-3-ylpropan-1-ol is Cc1ccc(C(O)(c2cccnc2)C(F)(F)C(F)(F)F)cc1.
What is the InChIKey of 2,2,3,3,3-pentafluoro-1-(4-methylphenyl)-1-pyridin-3-ylpropan-1-ol?
The InChIKey is APIBLSDYBQFTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F5NO/c1-10-4-6-11(7-5-10)13(22,12-3-2-8-21-9-12)14(16,17)15(18,19)20/h2-9,22H,1H3.
What are the key properties of 2,2,3,3,3-pentafluoro-1-(4-methylphenyl)-1-pyridin-3-ylpropan-1-ol?
2,2,3,3,3-pentafluoro-1-(4-methylphenyl)-1-pyridin-3-ylpropan-1-ol has a molecular weight of 317.26 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoro-1-(4-methylphenyl)-1-pyridin-3-ylpropan-1-ol is sourced from PubChem (CID 162511631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).