2-[2,2-dimethyl-3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]acetic acid

C15H18F3NO2 — CID 138056859

IUPAC2-[2,2-dimethyl-3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]acetic acid
SMILESCC1(C)C(c2cccc(C(F)(F)F)c2)CCN1CC(=O)O
InChIInChI=1S/C15H18F3NO2/c1-14(2)12(6-7-19(14)9-13(20)21)10-4-3-5-11(8-10)15(16,17)18/h3-5,8,12H,6-7,9H2,1-2H3,(H,20,21)
InChIKeySHUQUEZVBQAABM-UHFFFAOYSA-N
MW301.31 g/mol
LogP3.36
Rot. Bonds3

About 2-[2,2-dimethyl-3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]acetic acid

2-[2,2-dimethyl-3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]acetic acid (PubChem CID 138056859) has the molecular formula C15H18F3NO2 and a molecular weight of 301.31 g/mol. Its IUPAC name is 2-[2,2-dimethyl-3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2,2-dimethyl-3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]acetic acid
PubChem CID138056859
Molecular FormulaC15H18F3NO2
Molecular Weight301.31 g/mol
Exact Mass301.13
IUPAC Name2-[2,2-dimethyl-3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]acetic acid
SMILESCC1(C)C(c2cccc(C(F)(F)F)c2)CCN1CC(=O)O
InChIInChI=1S/C15H18F3NO2/c1-14(2)12(6-7-19(14)9-13(20)21)10-4-3-5-11(8-10)15(16,17)18/h3-5,8,12H,6-7,9H2,1-2H3,(H,20,21)
InChIKeySHUQUEZVBQAABM-UHFFFAOYSA-N
XLogP3.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[2,2-dimethyl-3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]acetic 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-[4-[2,2-dimethyl-3-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]piperidin-1-yl]prop-2-en-1-one
CID 166412697
1-methyl-4-[3-(trifluoromethyl)phenyl]piperidine
CID 18722963
3-[[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]bicyclo[1.1.1]pentane-1-carboxylic acid
CID 166288064
1-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]-3,3-diphenylpiperidin-2-one
CID 67357691
1-cyclopropyl-3-(trifluoromethyl)benzene
CID 12509713
cyclopropyl-[(2S)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
CID 7364657
1-ethyl-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 175894440
cis-methyl (1S,2S)-1-phenyl-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate
CID 71512338
N,N-diphenyl-4-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]butanamide
CID 159064661
3-[(2S)-2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]propanoic acid
CID 124704543
[(2S,4R)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 129372817
3-pyrrolidin-1-yl-3-[3-(trifluoromethyl)phenyl]butanoic acid
CID 64529122

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-dimethyl-3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]acetic acid?
The IUPAC name of 2-[2,2-dimethyl-3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]acetic acid (CID 138056859) is 2-[2,2-dimethyl-3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]acetic acid.
What is the SMILES notation for 2-[2,2-dimethyl-3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]acetic acid?
The canonical SMILES for 2-[2,2-dimethyl-3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]acetic acid is CC1(C)C(c2cccc(C(F)(F)F)c2)CCN1CC(=O)O.
What is the InChIKey of 2-[2,2-dimethyl-3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]acetic acid?
The InChIKey is SHUQUEZVBQAABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO2/c1-14(2)12(6-7-19(14)9-13(20)21)10-4-3-5-11(8-10)15(16,17)18/h3-5,8,12H,6-7,9H2,1-2H3,(H,20,21).
What are the key properties of 2-[2,2-dimethyl-3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]acetic acid?
2-[2,2-dimethyl-3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]acetic acid has a molecular weight of 301.31 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-dimethyl-3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]acetic acid is sourced from PubChem (CID 138056859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).