3-[(4-fluorophenyl)methoxy]-1-[2-(trifluoromethyl)phenyl]sulfonylazetidine

Name: 3-[(4-fluorophenyl)methoxy]-1-[2-(trifluoromethyl)phenyl]sulfonylazetidine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₇H₁₅F₄NO₃S — CID 53089711

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

IUPAC3-[(4-fluorophenyl)methoxy]-1-[2-(trifluoromethyl)phenyl]sulfonylazetidine

SMILESO=S(=O)(c1ccccc1C(F)(F)F)N1CC(OCc2ccc(F)cc2)C1

InChIInChI=1S/C17H15F4NO3S/c18-13-7-5-12(6-8-13)11-25-14-9-22(10-14)26(23,24)16-4-2-1-3-15(16)17(19,20)21/h1-8,14H,9-11H2

InChIKeyXULBYFXQEBTVPX-UHFFFAOYSA-N

MW389.37 g/mol

LogP3.43

Rot. Bonds5

About 3-[(4-fluorophenyl)methoxy]-1-[2-(trifluoromethyl)phenyl]sulfonylazetidine

3-[(4-fluorophenyl)methoxy]-1-[2-(trifluoromethyl)phenyl]sulfonylazetidine (PubChem CID 53089711) has the molecular formula C₁₇H₁₅F₄NO₃S and a molecular weight of 389.37 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methoxy]-1-[2-(trifluoromethyl)phenyl]sulfonylazetidine.

Molecular Properties

Compound Name	3-[(4-fluorophenyl)methoxy]-1-[2-(trifluoromethyl)phenyl]sulfonylazetidine
PubChem CID	53089711
Molecular Formula	C₁₇H₁₅F₄NO₃S
Molecular Weight	389.37 g/mol
Exact Mass	389.07
IUPAC Name	3-[(4-fluorophenyl)methoxy]-1-[2-(trifluoromethyl)phenyl]sulfonylazetidine
SMILES	O=S(=O)(c1ccccc1C(F)(F)F)N1CC(OCc2ccc(F)cc2)C1
InChI	InChI=1S/C17H15F4NO3S/c18-13-7-5-12(6-8-13)11-25-14-9-22(10-14)26(23,24)16-4-2-1-3-15(16)17(19,20)21/h1-8,14H,9-11H2
InChIKey	XULBYFXQEBTVPX-UHFFFAOYSA-N
XLogP	3.43
TPSA	46.61 Å²
H-Bond Donors
H-Bond Acceptors	3
Rotatable Bonds	5
Heavy Atoms	26
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.37
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methoxy]-1-[2-(trifluoromethyl)phenyl]sulfonylazetidine?

The IUPAC name of 3-[(4-fluorophenyl)methoxy]-1-[2-(trifluoromethyl)phenyl]sulfonylazetidine (CID 53089711) is 3-[(4-fluorophenyl)methoxy]-1-[2-(trifluoromethyl)phenyl]sulfonylazetidine.

What is the SMILES notation for 3-[(4-fluorophenyl)methoxy]-1-[2-(trifluoromethyl)phenyl]sulfonylazetidine?

The canonical SMILES for 3-[(4-fluorophenyl)methoxy]-1-[2-(trifluoromethyl)phenyl]sulfonylazetidine is O=S(=O)(c1ccccc1C(F)(F)F)N1CC(OCc2ccc(F)cc2)C1.

What is the InChIKey of 3-[(4-fluorophenyl)methoxy]-1-[2-(trifluoromethyl)phenyl]sulfonylazetidine?

The InChIKey is XULBYFXQEBTVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F4NO3S/c18-13-7-5-12(6-8-13)11-25-14-9-22(10-14)26(23,24)16-4-2-1-3-15(16)17(19,20)21/h1-8,14H,9-11H2.

What are the key properties of 3-[(4-fluorophenyl)methoxy]-1-[2-(trifluoromethyl)phenyl]sulfonylazetidine?

3-[(4-fluorophenyl)methoxy]-1-[2-(trifluoromethyl)phenyl]sulfonylazetidine has a molecular weight of 389.37 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(4-fluorophenyl)methoxy]-1-[2-(trifluoromethyl)phenyl]sulfonylazetidine is sourced from PubChem (CID 53089711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 53089711 — identifiers, structure, computed properties (public domain)

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