1-[5-(trifluoromethyl)-2-pyridinyl]ethanol

C8H8F3NO — CID 77230907

IUPAC1-[5-(trifluoromethyl)-2-pyridinyl]ethanol
SMILESCC(O)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C8H8F3NO/c1-5(13)7-3-2-6(4-12-7)8(9,10)11/h2-5,13H,1H3
InChIKeySLIPRZYFPIINFG-UHFFFAOYSA-N
MW191.15 g/mol
LogP2.15
Rot. Bonds1

About 1-[5-(trifluoromethyl)-2-pyridinyl]ethanol

1-[5-(trifluoromethyl)-2-pyridinyl]ethanol (PubChem CID 77230907) has the molecular formula C8H8F3NO and a molecular weight of 191.15 g/mol. Its IUPAC name is 1-[5-(trifluoromethyl)-2-pyridinyl]ethanol.

Molecular Properties

Compound Name1-[5-(trifluoromethyl)-2-pyridinyl]ethanol
PubChem CID77230907
Molecular FormulaC8H8F3NO
Molecular Weight191.15 g/mol
Exact Mass191.06
IUPAC Name1-[5-(trifluoromethyl)-2-pyridinyl]ethanol
SMILESCC(O)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C8H8F3NO/c1-5(13)7-3-2-6(4-12-7)8(9,10)11/h2-5,13H,1H3
InChIKeySLIPRZYFPIINFG-UHFFFAOYSA-N
XLogP2.15
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.15
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(trifluoromethyl)-2-pyridinyl]ethanol?
The IUPAC name of 1-[5-(trifluoromethyl)-2-pyridinyl]ethanol (CID 77230907) is 1-[5-(trifluoromethyl)-2-pyridinyl]ethanol.
What is the SMILES notation for 1-[5-(trifluoromethyl)-2-pyridinyl]ethanol?
The canonical SMILES for 1-[5-(trifluoromethyl)-2-pyridinyl]ethanol is CC(O)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of 1-[5-(trifluoromethyl)-2-pyridinyl]ethanol?
The InChIKey is SLIPRZYFPIINFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO/c1-5(13)7-3-2-6(4-12-7)8(9,10)11/h2-5,13H,1H3.
What are the key properties of 1-[5-(trifluoromethyl)-2-pyridinyl]ethanol?
1-[5-(trifluoromethyl)-2-pyridinyl]ethanol has a molecular weight of 191.15 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(trifluoromethyl)-2-pyridinyl]ethanol is sourced from PubChem (CID 77230907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).