[1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]methanol

C13H16F3NO — CID 2845337

IUPAC[1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1Cc1ccccc1C(F)(F)F
InChIInChI=1S/C13H16F3NO/c14-13(15,16)12-6-2-1-4-10(12)8-17-7-3-5-11(17)9-18/h1-2,4,6,11,18H,3,5,7-9H2
InChIKeyBWRHLVGKMYKFLO-UHFFFAOYSA-N
MW259.27 g/mol
LogP2.66
Rot. Bonds3

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

[1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]methanol (PubChem CID 2845337) has the molecular formula C13H16F3NO and a molecular weight of 259.27 g/mol. Its IUPAC name is [1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]methanol
PubChem CID2845337
Molecular FormulaC13H16F3NO
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC Name[1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1Cc1ccccc1C(F)(F)F
InChIInChI=1S/C13H16F3NO/c14-13(15,16)12-6-2-1-4-10(12)8-17-7-3-5-11(17)9-18/h1-2,4,6,11,18H,3,5,7-9H2
InChIKeyBWRHLVGKMYKFLO-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]methanol 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 [1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]methanol (CID 2845337) is [1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]methanol is OCC1CCCN1Cc1ccccc1C(F)(F)F.
What is the InChIKey of [1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]methanol?
The InChIKey is BWRHLVGKMYKFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO/c14-13(15,16)12-6-2-1-4-10(12)8-17-7-3-5-11(17)9-18/h1-2,4,6,11,18H,3,5,7-9H2.
What are the key properties of [1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]methanol?
[1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]methanol has a molecular weight of 259.27 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 2845337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).