2-[1-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]propan-2-ol

C15H19F4NO — CID 131925071

IUPAC2-[1-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]propan-2-ol
SMILESCC(C)(O)C1CCN(Cc2cccc(C(F)(F)F)c2F)C1
InChIInChI=1S/C15H19F4NO/c1-14(2,21)11-6-7-20(9-11)8-10-4-3-5-12(13(10)16)15(17,18)19/h3-5,11,21H,6-9H2,1-2H3
InChIKeyUJLPIQYYKDNZKN-UHFFFAOYSA-N
MW305.31 g/mol
LogP3.44
Rot. Bonds3

About 2-[1-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]propan-2-ol

2-[1-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]propan-2-ol (PubChem CID 131925071) has the molecular formula C15H19F4NO and a molecular weight of 305.31 g/mol. Its IUPAC name is 2-[1-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]propan-2-ol
PubChem CID131925071
Molecular FormulaC15H19F4NO
Molecular Weight305.31 g/mol
Exact Mass305.14
IUPAC Name2-[1-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]propan-2-ol
SMILESCC(C)(O)C1CCN(Cc2cccc(C(F)(F)F)c2F)C1
InChIInChI=1S/C15H19F4NO/c1-14(2,21)11-6-7-20(9-11)8-10-4-3-5-12(13(10)16)15(17,18)19/h3-5,11,21H,6-9H2,1-2H3
InChIKeyUJLPIQYYKDNZKN-UHFFFAOYSA-N
XLogP3.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[1-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]propan-2-ol 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-[1-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]propan-2-ol?
The IUPAC name of 2-[1-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]propan-2-ol (CID 131925071) is 2-[1-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]propan-2-ol.
What is the SMILES notation for 2-[1-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]propan-2-ol?
The canonical SMILES for 2-[1-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]propan-2-ol is CC(C)(O)C1CCN(Cc2cccc(C(F)(F)F)c2F)C1.
What is the InChIKey of 2-[1-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]propan-2-ol?
The InChIKey is UJLPIQYYKDNZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F4NO/c1-14(2,21)11-6-7-20(9-11)8-10-4-3-5-12(13(10)16)15(17,18)19/h3-5,11,21H,6-9H2,1-2H3.
What are the key properties of 2-[1-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]propan-2-ol?
2-[1-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]propan-2-ol has a molecular weight of 305.31 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]propan-2-ol is sourced from PubChem (CID 131925071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).