1-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenoxy]ethanone

C16H20F3NO4 — CID 128984367

IUPAC1-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenoxy]ethanone
SMILESCOC[C@@H]1C[C@H](OC)CN1C(=O)COc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H20F3NO4/c1-22-9-12-7-14(23-2)8-20(12)15(21)10-24-13-5-3-11(4-6-13)16(17,18)19/h3-6,12,14H,7-10H2,1-2H3/t12-,14-/m0/s1
InChIKeyZRAKCOOUNUOAPP-JSGCOSHPSA-N
MW347.33 g/mol
LogP2.35
Rot. Bonds6

About 1-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenoxy]ethanone

1-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenoxy]ethanone (PubChem CID 128984367) has the molecular formula C16H20F3NO4 and a molecular weight of 347.33 g/mol. Its IUPAC name is 1-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenoxy]ethanone.

Molecular Properties

Compound Name1-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenoxy]ethanone
PubChem CID128984367
Molecular FormulaC16H20F3NO4
Molecular Weight347.33 g/mol
Exact Mass347.13
IUPAC Name1-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenoxy]ethanone
SMILESCOC[C@@H]1C[C@H](OC)CN1C(=O)COc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H20F3NO4/c1-22-9-12-7-14(23-2)8-20(12)15(21)10-24-13-5-3-11(4-6-13)16(17,18)19/h3-6,12,14H,7-10H2,1-2H3/t12-,14-/m0/s1
InChIKeyZRAKCOOUNUOAPP-JSGCOSHPSA-N
XLogP2.35
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.33
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenoxy]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-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenoxy]ethanone
CID 128988298
1-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 154740365
2-(2-chloro-4-fluorophenoxy)-1-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]ethanone
CID 128984307
4-[[(2S)-4-methoxy-1-(3-methylbutanoyl)pyrrolidin-2-yl]methoxy]benzoic acid
CID 58804697
[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-(4-methoxyphenyl)methanone
CID 128984328
(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidine-1-carboxamide
CID 167729627
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenoxy]ethanone
CID 119633384
(2S,4R)-2-(acetyloxymethyl)-4-[4-(trifluoromethyl)phenoxy]pyrrolidine-1-carboxylic acid
CID 166644286
4-[(2S,4R)-2-(methoxymethyl)-4-[4-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]benzoic acid
CID 156774568
1-[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 128985487
2-(cyclopropylmethoxy)-1-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]ethanone
CID 128983185
[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanone
CID 128982593

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenoxy]ethanone?
The IUPAC name of 1-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenoxy]ethanone (CID 128984367) is 1-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenoxy]ethanone.
What is the SMILES notation for 1-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenoxy]ethanone?
The canonical SMILES for 1-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenoxy]ethanone is COC[C@@H]1C[C@H](OC)CN1C(=O)COc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenoxy]ethanone?
The InChIKey is ZRAKCOOUNUOAPP-JSGCOSHPSA-N. The full InChI is InChI=1S/C16H20F3NO4/c1-22-9-12-7-14(23-2)8-20(12)15(21)10-24-13-5-3-11(4-6-13)16(17,18)19/h3-6,12,14H,7-10H2,1-2H3/t12-,14-/m0/s1.
What are the key properties of 1-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenoxy]ethanone?
1-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenoxy]ethanone has a molecular weight of 347.33 g/mol, XLogP of 2.35, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenoxy]ethanone is sourced from PubChem (CID 128984367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).