1,2,2,3,3,3-hexafluoro-1-pyridin-2-ylpropan-1-ol

C8H5F6NO — CID 90723396

IUPAC1,2,2,3,3,3-hexafluoro-1-pyridin-2-ylpropan-1-ol
SMILESOC(F)(c1ccccn1)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H5F6NO/c9-6(16,5-3-1-2-4-15-5)7(10,11)8(12,13)14/h1-4,16H
InChIKeyCNYUHVZTBWECNA-UHFFFAOYSA-N
MW245.12 g/mol
LogP2.39
Rot. Bonds2

About 1,2,2,3,3,3-hexafluoro-1-pyridin-2-ylpropan-1-ol

1,2,2,3,3,3-hexafluoro-1-pyridin-2-ylpropan-1-ol (PubChem CID 90723396) has the molecular formula C8H5F6NO and a molecular weight of 245.12 g/mol. Its IUPAC name is 1,2,2,3,3,3-hexafluoro-1-pyridin-2-ylpropan-1-ol.

Molecular Properties

Compound Name1,2,2,3,3,3-hexafluoro-1-pyridin-2-ylpropan-1-ol
PubChem CID90723396
Molecular FormulaC8H5F6NO
Molecular Weight245.12 g/mol
Exact Mass245.03
IUPAC Name1,2,2,3,3,3-hexafluoro-1-pyridin-2-ylpropan-1-ol
SMILESOC(F)(c1ccccn1)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H5F6NO/c9-6(16,5-3-1-2-4-15-5)7(10,11)8(12,13)14/h1-4,16H
InChIKeyCNYUHVZTBWECNA-UHFFFAOYSA-N
XLogP2.39
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.12
LogP ≤ 52.39
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 1,2,2,3,3,3-hexafluoro-1-pyridin-2-ylpropan-1-ol?
The IUPAC name of 1,2,2,3,3,3-hexafluoro-1-pyridin-2-ylpropan-1-ol (CID 90723396) is 1,2,2,3,3,3-hexafluoro-1-pyridin-2-ylpropan-1-ol.
What is the SMILES notation for 1,2,2,3,3,3-hexafluoro-1-pyridin-2-ylpropan-1-ol?
The canonical SMILES for 1,2,2,3,3,3-hexafluoro-1-pyridin-2-ylpropan-1-ol is OC(F)(c1ccccn1)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,2,2,3,3,3-hexafluoro-1-pyridin-2-ylpropan-1-ol?
The InChIKey is CNYUHVZTBWECNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F6NO/c9-6(16,5-3-1-2-4-15-5)7(10,11)8(12,13)14/h1-4,16H.
What are the key properties of 1,2,2,3,3,3-hexafluoro-1-pyridin-2-ylpropan-1-ol?
1,2,2,3,3,3-hexafluoro-1-pyridin-2-ylpropan-1-ol has a molecular weight of 245.12 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,3,3,3-hexafluoro-1-pyridin-2-ylpropan-1-ol is sourced from PubChem (CID 90723396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).