SGTSJDXIBFACED-UHFFFAOYSA-N

Name: SGTSJDXIBFACED-UHFFFAOYSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₀H₂₀F₃NO₃ — CID 19935830

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC2,2,2-trifluoro-1-[3-methoxy-3-(3-phenylmethoxyphenyl)pyrrolidin-1-yl]ethanone

SMILESCOC1(c2cccc(OCc3ccccc3)c2)CCN(C(=O)C(F)(F)F)C1

InChIInChI=1S/C20H20F3NO3/c1-26-19(10-11-24(14-19)18(25)20(21,22)23)16-8-5-9-17(12-16)27-13-15-6-3-2-4-7-15/h2-9,12H,10-11,13-14H2,1H3

InChIKeySGTSJDXIBFACED-UHFFFAOYSA-N

MW379.38 g/mol

LogP3.90

Rot. Bonds5

About SGTSJDXIBFACED-UHFFFAOYSA-N

SGTSJDXIBFACED-UHFFFAOYSA-N (PubChem CID 19935830) has the molecular formula C₂₀H₂₀F₃NO₃ and a molecular weight of 379.38 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[3-methoxy-3-(3-phenylmethoxyphenyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name	SGTSJDXIBFACED-UHFFFAOYSA-N
PubChem CID	19935830
Molecular Formula	C₂₀H₂₀F₃NO₃
Molecular Weight	379.38 g/mol
Exact Mass	379.14
IUPAC Name	2,2,2-trifluoro-1-[3-methoxy-3-(3-phenylmethoxyphenyl)pyrrolidin-1-yl]ethanone
SMILES	COC1(c2cccc(OCc3ccccc3)c2)CCN(C(=O)C(F)(F)F)C1
InChI	InChI=1S/C20H20F3NO3/c1-26-19(10-11-24(14-19)18(25)20(21,22)23)16-8-5-9-17(12-16)27-13-15-6-3-2-4-7-15/h2-9,12H,10-11,13-14H2,1H3
InChIKey	SGTSJDXIBFACED-UHFFFAOYSA-N
XLogP	3.90
TPSA	38.77 Å²
H-Bond Donors
H-Bond Acceptors	3
Rotatable Bonds	5
Heavy Atoms	27
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.38
LogP ≤ 5	3.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of SGTSJDXIBFACED-UHFFFAOYSA-N?

The IUPAC name of SGTSJDXIBFACED-UHFFFAOYSA-N (CID 19935830) is 2,2,2-trifluoro-1-[3-methoxy-3-(3-phenylmethoxyphenyl)pyrrolidin-1-yl]ethanone.

What is the SMILES notation for SGTSJDXIBFACED-UHFFFAOYSA-N?

The canonical SMILES for SGTSJDXIBFACED-UHFFFAOYSA-N is COC1(c2cccc(OCc3ccccc3)c2)CCN(C(=O)C(F)(F)F)C1.

What is the InChIKey of SGTSJDXIBFACED-UHFFFAOYSA-N?

The InChIKey is SGTSJDXIBFACED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3NO3/c1-26-19(10-11-24(14-19)18(25)20(21,22)23)16-8-5-9-17(12-16)27-13-15-6-3-2-4-7-15/h2-9,12H,10-11,13-14H2,1H3.

What are the key properties of SGTSJDXIBFACED-UHFFFAOYSA-N?

SGTSJDXIBFACED-UHFFFAOYSA-N has a molecular weight of 379.38 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for SGTSJDXIBFACED-UHFFFAOYSA-N is sourced from PubChem (CID 19935830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 19935830 — identifiers, structure, computed properties (public domain)

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