(3-cyclopropyl-3-hydroxyazetidin-1-yl)-(3,3-difluorocyclohexyl)methanone

C13H19F2NO2 — CID 114226430

IUPAC(3-cyclopropyl-3-hydroxyazetidin-1-yl)-(3,3-difluorocyclohexyl)methanone
SMILESO=C(C1CCCC(F)(F)C1)N1CC(O)(C2CC2)C1
InChIInChI=1S/C13H19F2NO2/c14-13(15)5-1-2-9(6-13)11(17)16-7-12(18,8-16)10-3-4-10/h9-10,18H,1-8H2
InChIKeyILZPIJHVMZRYAH-UHFFFAOYSA-N
MW259.30 g/mol
LogP1.80
Rot. Bonds2

About (3-cyclopropyl-3-hydroxyazetidin-1-yl)-(3,3-difluorocyclohexyl)methanone

(3-cyclopropyl-3-hydroxyazetidin-1-yl)-(3,3-difluorocyclohexyl)methanone (PubChem CID 114226430) has the molecular formula C13H19F2NO2 and a molecular weight of 259.30 g/mol. Its IUPAC name is (3-cyclopropyl-3-hydroxyazetidin-1-yl)-(3,3-difluorocyclohexyl)methanone.

Molecular Properties

Compound Name(3-cyclopropyl-3-hydroxyazetidin-1-yl)-(3,3-difluorocyclohexyl)methanone
PubChem CID114226430
Molecular FormulaC13H19F2NO2
Molecular Weight259.30 g/mol
Exact Mass259.14
IUPAC Name(3-cyclopropyl-3-hydroxyazetidin-1-yl)-(3,3-difluorocyclohexyl)methanone
SMILESO=C(C1CCCC(F)(F)C1)N1CC(O)(C2CC2)C1
InChIInChI=1S/C13H19F2NO2/c14-13(15)5-1-2-9(6-13)11(17)16-7-12(18,8-16)10-3-4-10/h9-10,18H,1-8H2
InChIKeyILZPIJHVMZRYAH-UHFFFAOYSA-N
XLogP1.80
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-cyclopropyl-3-hydroxyazetidin-1-yl)-(3,3-difluorocyclohexyl)methanone?
The IUPAC name of (3-cyclopropyl-3-hydroxyazetidin-1-yl)-(3,3-difluorocyclohexyl)methanone (CID 114226430) is (3-cyclopropyl-3-hydroxyazetidin-1-yl)-(3,3-difluorocyclohexyl)methanone.
What is the SMILES notation for (3-cyclopropyl-3-hydroxyazetidin-1-yl)-(3,3-difluorocyclohexyl)methanone?
The canonical SMILES for (3-cyclopropyl-3-hydroxyazetidin-1-yl)-(3,3-difluorocyclohexyl)methanone is O=C(C1CCCC(F)(F)C1)N1CC(O)(C2CC2)C1.
What is the InChIKey of (3-cyclopropyl-3-hydroxyazetidin-1-yl)-(3,3-difluorocyclohexyl)methanone?
The InChIKey is ILZPIJHVMZRYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO2/c14-13(15)5-1-2-9(6-13)11(17)16-7-12(18,8-16)10-3-4-10/h9-10,18H,1-8H2.
What are the key properties of (3-cyclopropyl-3-hydroxyazetidin-1-yl)-(3,3-difluorocyclohexyl)methanone?
(3-cyclopropyl-3-hydroxyazetidin-1-yl)-(3,3-difluorocyclohexyl)methanone has a molecular weight of 259.30 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropyl-3-hydroxyazetidin-1-yl)-(3,3-difluorocyclohexyl)methanone is sourced from PubChem (CID 114226430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).