(1S)-1-[2-(trifluoromethyl)-3-pyridinyl]ethanol

C8H8F3NO — CID 146075388

IUPAC(1S)-1-[2-(trifluoromethyl)-3-pyridinyl]ethanol
SMILESC[C@H](O)c1cccnc1C(F)(F)F
InChIInChI=1S/C8H8F3NO/c1-5(13)6-3-2-4-12-7(6)8(9,10)11/h2-5,13H,1H3/t5-/m0/s1
InChIKeyLXAUCTIDNYDKTL-YFKPBYRVSA-N
MW191.15 g/mol
LogP2.15
Rot. Bonds1

About (1S)-1-[2-(trifluoromethyl)-3-pyridinyl]ethanol

(1S)-1-[2-(trifluoromethyl)-3-pyridinyl]ethanol (PubChem CID 146075388) has the molecular formula C8H8F3NO and a molecular weight of 191.15 g/mol. Its IUPAC name is (1S)-1-[2-(trifluoromethyl)-3-pyridinyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-(trifluoromethyl)-3-pyridinyl]ethanol
PubChem CID146075388
Molecular FormulaC8H8F3NO
Molecular Weight191.15 g/mol
Exact Mass191.06
IUPAC Name(1S)-1-[2-(trifluoromethyl)-3-pyridinyl]ethanol
SMILESC[C@H](O)c1cccnc1C(F)(F)F
InChIInChI=1S/C8H8F3NO/c1-5(13)6-3-2-4-12-7(6)8(9,10)11/h2-5,13H,1H3/t5-/m0/s1
InChIKeyLXAUCTIDNYDKTL-YFKPBYRVSA-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 (1S)-1-[2-(trifluoromethyl)-3-pyridinyl]ethanol?
The IUPAC name of (1S)-1-[2-(trifluoromethyl)-3-pyridinyl]ethanol (CID 146075388) is (1S)-1-[2-(trifluoromethyl)-3-pyridinyl]ethanol.
What is the SMILES notation for (1S)-1-[2-(trifluoromethyl)-3-pyridinyl]ethanol?
The canonical SMILES for (1S)-1-[2-(trifluoromethyl)-3-pyridinyl]ethanol is C[C@H](O)c1cccnc1C(F)(F)F.
What is the InChIKey of (1S)-1-[2-(trifluoromethyl)-3-pyridinyl]ethanol?
The InChIKey is LXAUCTIDNYDKTL-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H8F3NO/c1-5(13)6-3-2-4-12-7(6)8(9,10)11/h2-5,13H,1H3/t5-/m0/s1.
What are the key properties of (1S)-1-[2-(trifluoromethyl)-3-pyridinyl]ethanol?
(1S)-1-[2-(trifluoromethyl)-3-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 (1S)-1-[2-(trifluoromethyl)-3-pyridinyl]ethanol is sourced from PubChem (CID 146075388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).