2-[1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-yl]ethanol

C13H16F3NO — CID 117028559

IUPAC2-[1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-yl]ethanol
SMILESOCCC1CCCN1c1ccccc1C(F)(F)F
InChIInChI=1S/C13H16F3NO/c14-13(15,16)11-5-1-2-6-12(11)17-8-3-4-10(17)7-9-18/h1-2,5-6,10,18H,3-4,7-9H2
InChIKeyYCGFVEBCEJRWEG-UHFFFAOYSA-N
MW259.27 g/mol
LogP3.06
Rot. Bonds3

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

2-[1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-yl]ethanol (PubChem CID 117028559) has the molecular formula C13H16F3NO and a molecular weight of 259.27 g/mol. Its IUPAC name is 2-[1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-yl]ethanol
PubChem CID117028559
Molecular FormulaC13H16F3NO
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC Name2-[1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-yl]ethanol
SMILESOCCC1CCCN1c1ccccc1C(F)(F)F
InChIInChI=1S/C13H16F3NO/c14-13(15,16)11-5-1-2-6-12(11)17-8-3-4-10(17)7-9-18/h1-2,5-6,10,18H,3-4,7-9H2
InChIKeyYCGFVEBCEJRWEG-UHFFFAOYSA-N
XLogP3.06
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-yl]ethanol?
The IUPAC name of 2-[1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-yl]ethanol (CID 117028559) is 2-[1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-yl]ethanol?
The canonical SMILES for 2-[1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-yl]ethanol is OCCC1CCCN1c1ccccc1C(F)(F)F.
What is the InChIKey of 2-[1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-yl]ethanol?
The InChIKey is YCGFVEBCEJRWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO/c14-13(15,16)11-5-1-2-6-12(11)17-8-3-4-10(17)7-9-18/h1-2,5-6,10,18H,3-4,7-9H2.
What are the key properties of 2-[1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-yl]ethanol?
2-[1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-yl]ethanol has a molecular weight of 259.27 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-yl]ethanol is sourced from PubChem (CID 117028559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).