2-[6-(trifluoromethyl)-2-pyridinyl]propan-2-ol

C9H10F3NO — CID 58129506

IUPAC2-[6-(trifluoromethyl)-2-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C9H10F3NO/c1-8(2,14)6-4-3-5-7(13-6)9(10,11)12/h3-5,14H,1-2H3
InChIKeyAPJOFHZRFJXSRS-UHFFFAOYSA-N
MW205.18 g/mol
LogP2.33
Rot. Bonds1

About 2-[6-(trifluoromethyl)-2-pyridinyl]propan-2-ol

2-[6-(trifluoromethyl)-2-pyridinyl]propan-2-ol (PubChem CID 58129506) has the molecular formula C9H10F3NO and a molecular weight of 205.18 g/mol. Its IUPAC name is 2-[6-(trifluoromethyl)-2-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[6-(trifluoromethyl)-2-pyridinyl]propan-2-ol
PubChem CID58129506
Molecular FormulaC9H10F3NO
Molecular Weight205.18 g/mol
Exact Mass205.07
IUPAC Name2-[6-(trifluoromethyl)-2-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C9H10F3NO/c1-8(2,14)6-4-3-5-7(13-6)9(10,11)12/h3-5,14H,1-2H3
InChIKeyAPJOFHZRFJXSRS-UHFFFAOYSA-N
XLogP2.33
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(trifluoromethyl)-2-pyridinyl]propan-2-ol?
The IUPAC name of 2-[6-(trifluoromethyl)-2-pyridinyl]propan-2-ol (CID 58129506) is 2-[6-(trifluoromethyl)-2-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[6-(trifluoromethyl)-2-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[6-(trifluoromethyl)-2-pyridinyl]propan-2-ol is CC(C)(O)c1cccc(C(F)(F)F)n1.
What is the InChIKey of 2-[6-(trifluoromethyl)-2-pyridinyl]propan-2-ol?
The InChIKey is APJOFHZRFJXSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO/c1-8(2,14)6-4-3-5-7(13-6)9(10,11)12/h3-5,14H,1-2H3.
What are the key properties of 2-[6-(trifluoromethyl)-2-pyridinyl]propan-2-ol?
2-[6-(trifluoromethyl)-2-pyridinyl]propan-2-ol has a molecular weight of 205.18 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(trifluoromethyl)-2-pyridinyl]propan-2-ol is sourced from PubChem (CID 58129506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).