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

C11H15F3N2O — CID 71732721

IUPAC2-[3-[2-(trifluoromethyl)pyrrolidin-2-yl]pyrrol-1-yl]ethanol
SMILESOCCn1ccc(C2(C(F)(F)F)CCCN2)c1
InChIInChI=1S/C11H15F3N2O/c12-11(13,14)10(3-1-4-15-10)9-2-5-16(8-9)6-7-17/h2,5,8,15,17H,1,3-4,6-7H2
InChIKeyOFJBKHXPUMNZHM-UHFFFAOYSA-N
MW248.25 g/mol
LogP1.62
Rot. Bonds3

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

2-[3-[2-(trifluoromethyl)pyrrolidin-2-yl]pyrrol-1-yl]ethanol (PubChem CID 71732721) has the molecular formula C11H15F3N2O and a molecular weight of 248.25 g/mol. Its IUPAC name is 2-[3-[2-(trifluoromethyl)pyrrolidin-2-yl]pyrrol-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-[2-(trifluoromethyl)pyrrolidin-2-yl]pyrrol-1-yl]ethanol
PubChem CID71732721
Molecular FormulaC11H15F3N2O
Molecular Weight248.25 g/mol
Exact Mass248.11
IUPAC Name2-[3-[2-(trifluoromethyl)pyrrolidin-2-yl]pyrrol-1-yl]ethanol
SMILESOCCn1ccc(C2(C(F)(F)F)CCCN2)c1
InChIInChI=1S/C11H15F3N2O/c12-11(13,14)10(3-1-4-15-10)9-2-5-16(8-9)6-7-17/h2,5,8,15,17H,1,3-4,6-7H2
InChIKeyOFJBKHXPUMNZHM-UHFFFAOYSA-N
XLogP1.62
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[3-[2-(trifluoromethyl)pyrrolidin-2-yl]pyrrol-1-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

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(trifluoromethyl)pyrrolidin-2-yl]pyrrol-1-yl]ethanol?
The IUPAC name of 2-[3-[2-(trifluoromethyl)pyrrolidin-2-yl]pyrrol-1-yl]ethanol (CID 71732721) is 2-[3-[2-(trifluoromethyl)pyrrolidin-2-yl]pyrrol-1-yl]ethanol.
What is the SMILES notation for 2-[3-[2-(trifluoromethyl)pyrrolidin-2-yl]pyrrol-1-yl]ethanol?
The canonical SMILES for 2-[3-[2-(trifluoromethyl)pyrrolidin-2-yl]pyrrol-1-yl]ethanol is OCCn1ccc(C2(C(F)(F)F)CCCN2)c1.
What is the InChIKey of 2-[3-[2-(trifluoromethyl)pyrrolidin-2-yl]pyrrol-1-yl]ethanol?
The InChIKey is OFJBKHXPUMNZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O/c12-11(13,14)10(3-1-4-15-10)9-2-5-16(8-9)6-7-17/h2,5,8,15,17H,1,3-4,6-7H2.
What are the key properties of 2-[3-[2-(trifluoromethyl)pyrrolidin-2-yl]pyrrol-1-yl]ethanol?
2-[3-[2-(trifluoromethyl)pyrrolidin-2-yl]pyrrol-1-yl]ethanol has a molecular weight of 248.25 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(trifluoromethyl)pyrrolidin-2-yl]pyrrol-1-yl]ethanol is sourced from PubChem (CID 71732721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).