2-[3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethanol

C13H16F3NO — CID 18333344

IUPAC2-[3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethanol
SMILESOCCC1(c2cccc(C(F)(F)F)c2)CCNC1
InChIInChI=1S/C13H16F3NO/c14-13(15,16)11-3-1-2-10(8-11)12(5-7-18)4-6-17-9-12/h1-3,8,17-18H,4-7,9H2
InChIKeyPDOOSTCOXCCMEG-UHFFFAOYSA-N
MW259.27 g/mol
LogP2.32
Rot. Bonds3

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

2-[3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethanol (PubChem CID 18333344) has the molecular formula C13H16F3NO and a molecular weight of 259.27 g/mol. Its IUPAC name is 2-[3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethanol
PubChem CID18333344
Molecular FormulaC13H16F3NO
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC Name2-[3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethanol
SMILESOCCC1(c2cccc(C(F)(F)F)c2)CCNC1
InChIInChI=1S/C13H16F3NO/c14-13(15,16)11-3-1-2-10(8-11)12(5-7-18)4-6-17-9-12/h1-3,8,17-18H,4-7,9H2
InChIKeyPDOOSTCOXCCMEG-UHFFFAOYSA-N
XLogP2.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethanol (CID 18333344) is 2-[3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethanol is OCCC1(c2cccc(C(F)(F)F)c2)CCNC1.
What is the InChIKey of 2-[3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethanol?
The InChIKey is PDOOSTCOXCCMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO/c14-13(15,16)11-3-1-2-10(8-11)12(5-7-18)4-6-17-9-12/h1-3,8,17-18H,4-7,9H2.
What are the key properties of 2-[3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethanol?
2-[3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethanol has a molecular weight of 259.27 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 18333344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).