2,2,2-trifluoro-1-(6-pyrrolidin-1-yl-3-pyridinyl)ethanol

C11H13F3N2O — CID 67401736

IUPAC2,2,2-trifluoro-1-(6-pyrrolidin-1-yl-3-pyridinyl)ethanol
SMILESOC(c1ccc(N2CCCC2)nc1)C(F)(F)F
InChIInChI=1S/C11H13F3N2O/c12-11(13,14)10(17)8-3-4-9(15-7-8)16-5-1-2-6-16/h3-4,7,10,17H,1-2,5-6H2
InChIKeyHQVDTEDYEAISGJ-UHFFFAOYSA-N
MW246.23 g/mol
LogP2.28
Rot. Bonds2

About 2,2,2-trifluoro-1-(6-pyrrolidin-1-yl-3-pyridinyl)ethanol

2,2,2-trifluoro-1-(6-pyrrolidin-1-yl-3-pyridinyl)ethanol (PubChem CID 67401736) has the molecular formula C11H13F3N2O and a molecular weight of 246.23 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(6-pyrrolidin-1-yl-3-pyridinyl)ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(6-pyrrolidin-1-yl-3-pyridinyl)ethanol
PubChem CID67401736
Molecular FormulaC11H13F3N2O
Molecular Weight246.23 g/mol
Exact Mass246.10
IUPAC Name2,2,2-trifluoro-1-(6-pyrrolidin-1-yl-3-pyridinyl)ethanol
SMILESOC(c1ccc(N2CCCC2)nc1)C(F)(F)F
InChIInChI=1S/C11H13F3N2O/c12-11(13,14)10(17)8-3-4-9(15-7-8)16-5-1-2-6-16/h3-4,7,10,17H,1-2,5-6H2
InChIKeyHQVDTEDYEAISGJ-UHFFFAOYSA-N
XLogP2.28
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(6-pyrrolidin-1-yl-3-pyridinyl)ethanol?
The IUPAC name of 2,2,2-trifluoro-1-(6-pyrrolidin-1-yl-3-pyridinyl)ethanol (CID 67401736) is 2,2,2-trifluoro-1-(6-pyrrolidin-1-yl-3-pyridinyl)ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-(6-pyrrolidin-1-yl-3-pyridinyl)ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-(6-pyrrolidin-1-yl-3-pyridinyl)ethanol is OC(c1ccc(N2CCCC2)nc1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(6-pyrrolidin-1-yl-3-pyridinyl)ethanol?
The InChIKey is HQVDTEDYEAISGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O/c12-11(13,14)10(17)8-3-4-9(15-7-8)16-5-1-2-6-16/h3-4,7,10,17H,1-2,5-6H2.
What are the key properties of 2,2,2-trifluoro-1-(6-pyrrolidin-1-yl-3-pyridinyl)ethanol?
2,2,2-trifluoro-1-(6-pyrrolidin-1-yl-3-pyridinyl)ethanol has a molecular weight of 246.23 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(6-pyrrolidin-1-yl-3-pyridinyl)ethanol is sourced from PubChem (CID 67401736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).