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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(1-chloroethyl)piperidin-1-yl]-6-(trifluoromethyl)pyridine
CID 106838452
2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine-3-carbothioamide
CID 115965284
1-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]ethanol
CID 86797293
1-[1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]ethanol
CID 102716130
3-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]piperazine
CID 62478925
2-(3-bromopiperidin-1-yl)-6-(trifluoromethyl)pyridine
CID 80672529
1-[1-[2-[3-(1-hydroxyethyl)piperidin-1-yl]-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-yl]ethanol
CID 133397942
N-ethyl-N-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanesulfonamide
CID 133321234
3-ethylsulfanyl-1-[6-(trifluoromethyl)-2-pyridinyl]azepane
CID 133311270
1-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethanol
CID 112627963
1-[1-(5-amino-6-methyl-2-pyridinyl)pyrrolidin-3-yl]ethanol
CID 112624182
1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 608445

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).