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

C14H9ClF5NO — CID 162511713

IUPAC1-(4-chlorophenyl)-2,2,3,3,3-pentafluoro-1-pyridin-4-ylpropan-1-ol
SMILESOC(c1ccncc1)(c1ccc(Cl)cc1)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H9ClF5NO/c15-11-3-1-9(2-4-11)12(22,10-5-7-21-8-6-10)13(16,17)14(18,19)20/h1-8,22H
InChIKeyOZINRGGLCXGUEG-UHFFFAOYSA-N
MW337.68 g/mol
LogP4.17
Rot. Bonds3

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

1-(4-chlorophenyl)-2,2,3,3,3-pentafluoro-1-pyridin-4-ylpropan-1-ol (PubChem CID 162511713) has the molecular formula C14H9ClF5NO and a molecular weight of 337.68 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2,2,3,3,3-pentafluoro-1-pyridin-4-ylpropan-1-ol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2,2,3,3,3-pentafluoro-1-pyridin-4-ylpropan-1-ol
PubChem CID162511713
Molecular FormulaC14H9ClF5NO
Molecular Weight337.68 g/mol
Exact Mass337.03
IUPAC Name1-(4-chlorophenyl)-2,2,3,3,3-pentafluoro-1-pyridin-4-ylpropan-1-ol
SMILESOC(c1ccncc1)(c1ccc(Cl)cc1)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H9ClF5NO/c15-11-3-1-9(2-4-11)12(22,10-5-7-21-8-6-10)13(16,17)14(18,19)20/h1-8,22H
InChIKeyOZINRGGLCXGUEG-UHFFFAOYSA-N
XLogP4.17
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.68
LogP ≤ 54.17
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 1-(4-chlorophenyl)-2,2,3,3,3-pentafluoro-1-pyridin-4-ylpropan-1-ol?
The IUPAC name of 1-(4-chlorophenyl)-2,2,3,3,3-pentafluoro-1-pyridin-4-ylpropan-1-ol (CID 162511713) is 1-(4-chlorophenyl)-2,2,3,3,3-pentafluoro-1-pyridin-4-ylpropan-1-ol.
What is the SMILES notation for 1-(4-chlorophenyl)-2,2,3,3,3-pentafluoro-1-pyridin-4-ylpropan-1-ol?
The canonical SMILES for 1-(4-chlorophenyl)-2,2,3,3,3-pentafluoro-1-pyridin-4-ylpropan-1-ol is OC(c1ccncc1)(c1ccc(Cl)cc1)C(F)(F)C(F)(F)F.
What is the InChIKey of 1-(4-chlorophenyl)-2,2,3,3,3-pentafluoro-1-pyridin-4-ylpropan-1-ol?
The InChIKey is OZINRGGLCXGUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF5NO/c15-11-3-1-9(2-4-11)12(22,10-5-7-21-8-6-10)13(16,17)14(18,19)20/h1-8,22H.
What are the key properties of 1-(4-chlorophenyl)-2,2,3,3,3-pentafluoro-1-pyridin-4-ylpropan-1-ol?
1-(4-chlorophenyl)-2,2,3,3,3-pentafluoro-1-pyridin-4-ylpropan-1-ol has a molecular weight of 337.68 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2,2,3,3,3-pentafluoro-1-pyridin-4-ylpropan-1-ol is sourced from PubChem (CID 162511713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).