1-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-2-[2-(trifluoromethyl)phenyl]ethanone

C15H18F3NO3 — CID 133267056

IUPAC1-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-2-[2-(trifluoromethyl)phenyl]ethanone
SMILESCCO[C@@H]1CN(C(=O)Cc2ccccc2C(F)(F)F)C[C@H]1O
InChIInChI=1S/C15H18F3NO3/c1-2-22-13-9-19(8-12(13)20)14(21)7-10-5-3-4-6-11(10)15(16,17)18/h3-6,12-13,20H,2,7-9H2,1H3/t12-,13-/m1/s1
InChIKeyREHHJGHOIVVTST-CHWSQXEVSA-N
MW317.31 g/mol
LogP1.86
Rot. Bonds4

About 1-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-2-[2-(trifluoromethyl)phenyl]ethanone

1-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-2-[2-(trifluoromethyl)phenyl]ethanone (PubChem CID 133267056) has the molecular formula C15H18F3NO3 and a molecular weight of 317.31 g/mol. Its IUPAC name is 1-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-2-[2-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-2-[2-(trifluoromethyl)phenyl]ethanone
PubChem CID133267056
Molecular FormulaC15H18F3NO3
Molecular Weight317.31 g/mol
Exact Mass317.12
IUPAC Name1-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-2-[2-(trifluoromethyl)phenyl]ethanone
SMILESCCO[C@@H]1CN(C(=O)Cc2ccccc2C(F)(F)F)C[C@H]1O
InChIInChI=1S/C15H18F3NO3/c1-2-22-13-9-19(8-12(13)20)14(21)7-10-5-3-4-6-11(10)15(16,17)18/h3-6,12-13,20H,2,7-9H2,1H3/t12-,13-/m1/s1
InChIKeyREHHJGHOIVVTST-CHWSQXEVSA-N
XLogP1.86
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-2-[2-(trifluoromethyl)phenyl]ethanone 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-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-2-(2H-indazol-3-yl)ethanone
CID 133265851
2-chloro-1-(3-ethoxy-4-hydroxypyrrolidin-1-yl)ethanone
CID 121203887
1-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]-2-[2-(trifluoromethyl)phenyl]ethanone
CID 124612859
1-(4-methoxyazepan-1-yl)-2-[2-(trifluoromethyl)phenyl]ethanone
CID 136522526
1-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone
CID 133267825
1-[3-(1-aminoethyl)piperidin-1-yl]-2-[2-(trifluoromethyl)phenyl]ethanone;hydrochloride
CID 91645395
1-[2-[2-(trifluoromethyl)phenyl]acetyl]piperidine-3-carbonitrile
CID 91781505
ethyl (2R)-5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylate
CID 66644833
methanol;2-[2-(trifluoromethyl)phenyl]acetic acid
CID 70254547
1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]-2-[2-(trifluoromethyl)phenyl]ethanone
CID 95317069
(3R)-3-ethyl-1-[2-[2-(trifluoromethyl)phenyl]acetyl]piperidine-3-carboxylic acid
CID 97113303
1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-[2-(trifluoromethyl)phenyl]ethanone
CID 72842618

Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-2-[2-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 1-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-2-[2-(trifluoromethyl)phenyl]ethanone (CID 133267056) is 1-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-2-[2-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 1-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-2-[2-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 1-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-2-[2-(trifluoromethyl)phenyl]ethanone is CCO[C@@H]1CN(C(=O)Cc2ccccc2C(F)(F)F)C[C@H]1O.
What is the InChIKey of 1-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-2-[2-(trifluoromethyl)phenyl]ethanone?
The InChIKey is REHHJGHOIVVTST-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H18F3NO3/c1-2-22-13-9-19(8-12(13)20)14(21)7-10-5-3-4-6-11(10)15(16,17)18/h3-6,12-13,20H,2,7-9H2,1H3/t12-,13-/m1/s1.
What are the key properties of 1-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-2-[2-(trifluoromethyl)phenyl]ethanone?
1-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-2-[2-(trifluoromethyl)phenyl]ethanone has a molecular weight of 317.31 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-2-[2-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 133267056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).