(3-hydroxyazetidin-1-yl)-[3-(trifluoromethyl)cyclohexyl]methanone

Name: (3-hydroxyazetidin-1-yl)-[3-(trifluoromethyl)cyclohexyl]methanone — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₁H₁₆F₃NO₂ — CID 80544474

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

IUPAC(3-hydroxyazetidin-1-yl)-[3-(trifluoromethyl)cyclohexyl]methanone

SMILESO=C(C1CCCC(C(F)(F)F)C1)N1CC(O)C1

InChIInChI=1S/C11H16F3NO2/c12-11(13,14)8-3-1-2-7(4-8)10(17)15-5-9(16)6-15/h7-9,16H,1-6H2

InChIKeyBOTPRLNUNXZGHX-UHFFFAOYSA-N

MW251.25 g/mol

LogP1.56

Rot. Bonds1

About (3-hydroxyazetidin-1-yl)-[3-(trifluoromethyl)cyclohexyl]methanone

(3-hydroxyazetidin-1-yl)-[3-(trifluoromethyl)cyclohexyl]methanone (PubChem CID 80544474) has the molecular formula C₁₁H₁₆F₃NO₂ and a molecular weight of 251.25 g/mol. Its IUPAC name is (3-hydroxyazetidin-1-yl)-[3-(trifluoromethyl)cyclohexyl]methanone.

Molecular Properties

Compound Name	(3-hydroxyazetidin-1-yl)-[3-(trifluoromethyl)cyclohexyl]methanone
PubChem CID	80544474
Molecular Formula	C₁₁H₁₆F₃NO₂
Molecular Weight	251.25 g/mol
Exact Mass	251.11
IUPAC Name	(3-hydroxyazetidin-1-yl)-[3-(trifluoromethyl)cyclohexyl]methanone
SMILES	O=C(C1CCCC(C(F)(F)F)C1)N1CC(O)C1
InChI	InChI=1S/C11H16F3NO2/c12-11(13,14)8-3-1-2-7(4-8)10(17)15-5-9(16)6-15/h7-9,16H,1-6H2
InChIKey	BOTPRLNUNXZGHX-UHFFFAOYSA-N
XLogP	1.56
TPSA	40.54 Å²
H-Bond Donors	1
H-Bond Acceptors	2
Rotatable Bonds	1
Heavy Atoms	17
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	251.25
LogP ≤ 5	1.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of (3-hydroxyazetidin-1-yl)-[3-(trifluoromethyl)cyclohexyl]methanone?

The IUPAC name of (3-hydroxyazetidin-1-yl)-[3-(trifluoromethyl)cyclohexyl]methanone (CID 80544474) is (3-hydroxyazetidin-1-yl)-[3-(trifluoromethyl)cyclohexyl]methanone.

What is the SMILES notation for (3-hydroxyazetidin-1-yl)-[3-(trifluoromethyl)cyclohexyl]methanone?

The canonical SMILES for (3-hydroxyazetidin-1-yl)-[3-(trifluoromethyl)cyclohexyl]methanone is O=C(C1CCCC(C(F)(F)F)C1)N1CC(O)C1.

What is the InChIKey of (3-hydroxyazetidin-1-yl)-[3-(trifluoromethyl)cyclohexyl]methanone?

The InChIKey is BOTPRLNUNXZGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO2/c12-11(13,14)8-3-1-2-7(4-8)10(17)15-5-9(16)6-15/h7-9,16H,1-6H2.

What are the key properties of (3-hydroxyazetidin-1-yl)-[3-(trifluoromethyl)cyclohexyl]methanone?

(3-hydroxyazetidin-1-yl)-[3-(trifluoromethyl)cyclohexyl]methanone has a molecular weight of 251.25 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (3-hydroxyazetidin-1-yl)-[3-(trifluoromethyl)cyclohexyl]methanone is sourced from PubChem (CID 80544474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 80544474 — identifiers, structure, computed properties (public domain)

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