(2S)-1,1,1-trifluoro-3-pyridin-2-ylpropan-2-ol

C8H8F3NO — CID 15953445

IUPAC(2S)-1,1,1-trifluoro-3-pyridin-2-ylpropan-2-ol
SMILESO[C@@H](Cc1ccccn1)C(F)(F)F
InChIInChI=1S/C8H8F3NO/c9-8(10,11)7(13)5-6-3-1-2-4-12-6/h1-4,7,13H,5H2/t7-/m0/s1
InChIKeyZWXRXKYNMOHELS-ZETCQYMHSA-N
MW191.15 g/mol
LogP1.55
Rot. Bonds2

About (2S)-1,1,1-trifluoro-3-pyridin-2-ylpropan-2-ol

(2S)-1,1,1-trifluoro-3-pyridin-2-ylpropan-2-ol (PubChem CID 15953445) has the molecular formula C8H8F3NO and a molecular weight of 191.15 g/mol. Its IUPAC name is (2S)-1,1,1-trifluoro-3-pyridin-2-ylpropan-2-ol.

Molecular Properties

Compound Name(2S)-1,1,1-trifluoro-3-pyridin-2-ylpropan-2-ol
PubChem CID15953445
Molecular FormulaC8H8F3NO
Molecular Weight191.15 g/mol
Exact Mass191.06
IUPAC Name(2S)-1,1,1-trifluoro-3-pyridin-2-ylpropan-2-ol
SMILESO[C@@H](Cc1ccccn1)C(F)(F)F
InChIInChI=1S/C8H8F3NO/c9-8(10,11)7(13)5-6-3-1-2-4-12-6/h1-4,7,13H,5H2/t7-/m0/s1
InChIKeyZWXRXKYNMOHELS-ZETCQYMHSA-N
XLogP1.55
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.15
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1,1,1-trifluoro-3-pyridin-2-ylpropan-2-ol?
The IUPAC name of (2S)-1,1,1-trifluoro-3-pyridin-2-ylpropan-2-ol (CID 15953445) is (2S)-1,1,1-trifluoro-3-pyridin-2-ylpropan-2-ol.
What is the SMILES notation for (2S)-1,1,1-trifluoro-3-pyridin-2-ylpropan-2-ol?
The canonical SMILES for (2S)-1,1,1-trifluoro-3-pyridin-2-ylpropan-2-ol is O[C@@H](Cc1ccccn1)C(F)(F)F.
What is the InChIKey of (2S)-1,1,1-trifluoro-3-pyridin-2-ylpropan-2-ol?
The InChIKey is ZWXRXKYNMOHELS-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H8F3NO/c9-8(10,11)7(13)5-6-3-1-2-4-12-6/h1-4,7,13H,5H2/t7-/m0/s1.
What are the key properties of (2S)-1,1,1-trifluoro-3-pyridin-2-ylpropan-2-ol?
(2S)-1,1,1-trifluoro-3-pyridin-2-ylpropan-2-ol has a molecular weight of 191.15 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,1,1-trifluoro-3-pyridin-2-ylpropan-2-ol is sourced from PubChem (CID 15953445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).