2,2,3,3,3-pentafluoro-1-pyridin-3-yl-1-thiophen-2-ylpropan-1-ol

C12H8F5NOS — CID 162511519

IUPAC2,2,3,3,3-pentafluoro-1-pyridin-3-yl-1-thiophen-2-ylpropan-1-ol
SMILESOC(c1cccnc1)(c1cccs1)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H8F5NOS/c13-11(14,12(15,16)17)10(19,9-4-2-6-20-9)8-3-1-5-18-7-8/h1-7,19H
InChIKeyLOXWVBCDOFQVMU-UHFFFAOYSA-N
MW309.26 g/mol
LogP3.58
Rot. Bonds3

About 2,2,3,3,3-pentafluoro-1-pyridin-3-yl-1-thiophen-2-ylpropan-1-ol

2,2,3,3,3-pentafluoro-1-pyridin-3-yl-1-thiophen-2-ylpropan-1-ol (PubChem CID 162511519) has the molecular formula C12H8F5NOS and a molecular weight of 309.26 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-1-pyridin-3-yl-1-thiophen-2-ylpropan-1-ol.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-1-pyridin-3-yl-1-thiophen-2-ylpropan-1-ol
PubChem CID162511519
Molecular FormulaC12H8F5NOS
Molecular Weight309.26 g/mol
Exact Mass309.02
IUPAC Name2,2,3,3,3-pentafluoro-1-pyridin-3-yl-1-thiophen-2-ylpropan-1-ol
SMILESOC(c1cccnc1)(c1cccs1)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H8F5NOS/c13-11(14,12(15,16)17)10(19,9-4-2-6-20-9)8-3-1-5-18-7-8/h1-7,19H
InChIKeyLOXWVBCDOFQVMU-UHFFFAOYSA-N
XLogP3.58
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.26
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-pyridin-3-yl-1-thiophen-2-ylpropan-1-ol?
The IUPAC name of 2,2,3,3,3-pentafluoro-1-pyridin-3-yl-1-thiophen-2-ylpropan-1-ol (CID 162511519) is 2,2,3,3,3-pentafluoro-1-pyridin-3-yl-1-thiophen-2-ylpropan-1-ol.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-1-pyridin-3-yl-1-thiophen-2-ylpropan-1-ol?
The canonical SMILES for 2,2,3,3,3-pentafluoro-1-pyridin-3-yl-1-thiophen-2-ylpropan-1-ol is OC(c1cccnc1)(c1cccs1)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoro-1-pyridin-3-yl-1-thiophen-2-ylpropan-1-ol?
The InChIKey is LOXWVBCDOFQVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F5NOS/c13-11(14,12(15,16)17)10(19,9-4-2-6-20-9)8-3-1-5-18-7-8/h1-7,19H.
What are the key properties of 2,2,3,3,3-pentafluoro-1-pyridin-3-yl-1-thiophen-2-ylpropan-1-ol?
2,2,3,3,3-pentafluoro-1-pyridin-3-yl-1-thiophen-2-ylpropan-1-ol has a molecular weight of 309.26 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoro-1-pyridin-3-yl-1-thiophen-2-ylpropan-1-ol is sourced from PubChem (CID 162511519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).