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

C8H5F6NO — CID 10865567

IUPAC1,1,1,3,3,3-hexafluoro-2-pyridin-2-ylpropan-2-ol
SMILESOC(c1ccccn1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H5F6NO/c9-7(10,11)6(16,8(12,13)14)5-3-1-2-4-15-5/h1-4,16H
InChIKeyNKQOZAOIOAVOAD-UHFFFAOYSA-N
MW245.12 g/mol
LogP2.39
Rot. Bonds1

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

1,1,1,3,3,3-hexafluoro-2-pyridin-2-ylpropan-2-ol (PubChem CID 10865567) has the molecular formula C8H5F6NO and a molecular weight of 245.12 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-pyridin-2-ylpropan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-pyridin-2-ylpropan-2-ol
PubChem CID10865567
Molecular FormulaC8H5F6NO
Molecular Weight245.12 g/mol
Exact Mass245.03
IUPAC Name1,1,1,3,3,3-hexafluoro-2-pyridin-2-ylpropan-2-ol
SMILESOC(c1ccccn1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H5F6NO/c9-7(10,11)6(16,8(12,13)14)5-3-1-2-4-15-5/h1-4,16H
InChIKeyNKQOZAOIOAVOAD-UHFFFAOYSA-N
XLogP2.39
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-pyridin-2-ylpropan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-pyridin-2-ylpropan-2-ol (CID 10865567) is 1,1,1,3,3,3-hexafluoro-2-pyridin-2-ylpropan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-pyridin-2-ylpropan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-pyridin-2-ylpropan-2-ol is OC(c1ccccn1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-pyridin-2-ylpropan-2-ol?
The InChIKey is NKQOZAOIOAVOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F6NO/c9-7(10,11)6(16,8(12,13)14)5-3-1-2-4-15-5/h1-4,16H.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-pyridin-2-ylpropan-2-ol?
1,1,1,3,3,3-hexafluoro-2-pyridin-2-ylpropan-2-ol has a molecular weight of 245.12 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-pyridin-2-ylpropan-2-ol is sourced from PubChem (CID 10865567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).