5-[[3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methyl]furan-2-carboxylic acid

C17H16F3NO3 — CID 146135039

IUPAC5-[[3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(CN2CCC(c3cccc(C(F)(F)F)c3)C2)o1
InChIInChI=1S/C17H16F3NO3/c18-17(19,20)13-3-1-2-11(8-13)12-6-7-21(9-12)10-14-4-5-15(24-14)16(22)23/h1-5,8,12H,6-7,9-10H2,(H,22,23)
InChIKeyRQWQVSXDOAPSFH-UHFFFAOYSA-N
MW339.31 g/mol
LogP3.99
Rot. Bonds4

About 5-[[3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methyl]furan-2-carboxylic acid

5-[[3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methyl]furan-2-carboxylic acid (PubChem CID 146135039) has the molecular formula C17H16F3NO3 and a molecular weight of 339.31 g/mol. Its IUPAC name is 5-[[3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methyl]furan-2-carboxylic acid
PubChem CID146135039
Molecular FormulaC17H16F3NO3
Molecular Weight339.31 g/mol
Exact Mass339.11
IUPAC Name5-[[3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(CN2CCC(c3cccc(C(F)(F)F)c3)C2)o1
InChIInChI=1S/C17H16F3NO3/c18-17(19,20)13-3-1-2-11(8-13)12-6-7-21(9-12)10-14-4-5-15(24-14)16(22)23/h1-5,8,12H,6-7,9-10H2,(H,22,23)
InChIKeyRQWQVSXDOAPSFH-UHFFFAOYSA-N
XLogP3.99
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.31
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[[3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methyl]furan-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzyl-3-[3-(trifluoromethyl)phenyl]piperidine;hydrochloride
CID 3049036
5-[[3-(trifluoromethyl)phenyl]methyl]furan-2-carboxylic acid
CID 90399964
5-[(3-hydroxypiperidin-1-yl)methyl]furan-2-carboxylic acid
CID 61434674
1-methyl-3-[3-(trifluoromethyl)phenyl]pyrrolidine
CID 18722940
3-[[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]bicyclo[1.1.1]pentane-1-carboxylic acid
CID 166288064
[5-[[2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methyl]furan-2-yl]methanol
CID 45212990
N,N-diphenyl-4-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]butanamide
CID 159064661
5-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]furan-2-carboxylic acid
CID 63170170
5-(pyrrolidin-1-ylmethyl)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]furan-2-carboxamide
CID 131896298
1-methyl-4-[3-(trifluoromethyl)phenyl]piperidine
CID 18722963
4-[[5-methyl-2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]methyl]benzoic acid
CID 122034650
4-[3-[3-(trifluoromethyl)phenyl]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 136553556

Frequently Asked Questions

What is the IUPAC name of 5-[[3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methyl]furan-2-carboxylic acid (CID 146135039) is 5-[[3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methyl]furan-2-carboxylic acid is O=C(O)c1ccc(CN2CCC(c3cccc(C(F)(F)F)c3)C2)o1.
What is the InChIKey of 5-[[3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methyl]furan-2-carboxylic acid?
The InChIKey is RQWQVSXDOAPSFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO3/c18-17(19,20)13-3-1-2-11(8-13)12-6-7-21(9-12)10-14-4-5-15(24-14)16(22)23/h1-5,8,12H,6-7,9-10H2,(H,22,23).
What are the key properties of 5-[[3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methyl]furan-2-carboxylic acid?
5-[[3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methyl]furan-2-carboxylic acid has a molecular weight of 339.31 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 146135039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).