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

C12H17F2NO2 — CID 114094512

IUPAC(3-cyclopropyl-3-hydroxyazetidin-1-yl)-(3,3-difluorocyclopentyl)methanone
SMILESO=C(C1CCC(F)(F)C1)N1CC(O)(C2CC2)C1
InChIInChI=1S/C12H17F2NO2/c13-12(14)4-3-8(5-12)10(16)15-6-11(17,7-15)9-1-2-9/h8-9,17H,1-7H2
InChIKeySHHOMIVFUCDVJS-UHFFFAOYSA-N
MW245.27 g/mol
LogP1.41
Rot. Bonds2

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

(3-cyclopropyl-3-hydroxyazetidin-1-yl)-(3,3-difluorocyclopentyl)methanone (PubChem CID 114094512) has the molecular formula C12H17F2NO2 and a molecular weight of 245.27 g/mol. Its IUPAC name is (3-cyclopropyl-3-hydroxyazetidin-1-yl)-(3,3-difluorocyclopentyl)methanone.

Molecular Properties

Compound Name(3-cyclopropyl-3-hydroxyazetidin-1-yl)-(3,3-difluorocyclopentyl)methanone
PubChem CID114094512
Molecular FormulaC12H17F2NO2
Molecular Weight245.27 g/mol
Exact Mass245.12
IUPAC Name(3-cyclopropyl-3-hydroxyazetidin-1-yl)-(3,3-difluorocyclopentyl)methanone
SMILESO=C(C1CCC(F)(F)C1)N1CC(O)(C2CC2)C1
InChIInChI=1S/C12H17F2NO2/c13-12(14)4-3-8(5-12)10(16)15-6-11(17,7-15)9-1-2-9/h8-9,17H,1-7H2
InChIKeySHHOMIVFUCDVJS-UHFFFAOYSA-N
XLogP1.41
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 51.41
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-difluorocyclopentyl)methanone?
The IUPAC name of (3-cyclopropyl-3-hydroxyazetidin-1-yl)-(3,3-difluorocyclopentyl)methanone (CID 114094512) is (3-cyclopropyl-3-hydroxyazetidin-1-yl)-(3,3-difluorocyclopentyl)methanone.
What is the SMILES notation for (3-cyclopropyl-3-hydroxyazetidin-1-yl)-(3,3-difluorocyclopentyl)methanone?
The canonical SMILES for (3-cyclopropyl-3-hydroxyazetidin-1-yl)-(3,3-difluorocyclopentyl)methanone is O=C(C1CCC(F)(F)C1)N1CC(O)(C2CC2)C1.
What is the InChIKey of (3-cyclopropyl-3-hydroxyazetidin-1-yl)-(3,3-difluorocyclopentyl)methanone?
The InChIKey is SHHOMIVFUCDVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO2/c13-12(14)4-3-8(5-12)10(16)15-6-11(17,7-15)9-1-2-9/h8-9,17H,1-7H2.
What are the key properties of (3-cyclopropyl-3-hydroxyazetidin-1-yl)-(3,3-difluorocyclopentyl)methanone?
(3-cyclopropyl-3-hydroxyazetidin-1-yl)-(3,3-difluorocyclopentyl)methanone has a molecular weight of 245.27 g/mol, XLogP of 1.41, 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-difluorocyclopentyl)methanone is sourced from PubChem (CID 114094512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).