1-[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]ethanol

C12H15F3N2O — CID 112627873

IUPAC1-[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(c2cccc(C(F)(F)F)n2)C1
InChIInChI=1S/C12H15F3N2O/c1-8(18)9-5-6-17(7-9)11-4-2-3-10(16-11)12(13,14)15/h2-4,8-9,18H,5-7H2,1H3
InChIKeyISKFSIFHJHMURG-UHFFFAOYSA-N
MW260.26 g/mol
LogP2.31
Rot. Bonds2

About 1-[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]ethanol

1-[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]ethanol (PubChem CID 112627873) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is 1-[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]ethanol
PubChem CID112627873
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC Name1-[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(c2cccc(C(F)(F)F)n2)C1
InChIInChI=1S/C12H15F3N2O/c1-8(18)9-5-6-17(7-9)11-4-2-3-10(16-11)12(13,14)15/h2-4,8-9,18H,5-7H2,1H3
InChIKeyISKFSIFHJHMURG-UHFFFAOYSA-N
XLogP2.31
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]ethanol (CID 112627873) is 1-[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]ethanol is CC(O)C1CCN(c2cccc(C(F)(F)F)n2)C1.
What is the InChIKey of 1-[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]ethanol?
The InChIKey is ISKFSIFHJHMURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O/c1-8(18)9-5-6-17(7-9)11-4-2-3-10(16-11)12(13,14)15/h2-4,8-9,18H,5-7H2,1H3.
What are the key properties of 1-[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]ethanol?
1-[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]ethanol has a molecular weight of 260.26 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 112627873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).