(3,3-difluoroazetidin-1-yl)-(3-propan-2-yl-1-bicyclo[1.1.1]pentanyl)methanone

C12H17F2NO — CID 176865122

IUPAC(3,3-difluoroazetidin-1-yl)-(3-propan-2-yl-1-bicyclo[1.1.1]pentanyl)methanone
SMILESCC(C)C12CC(C(=O)N3CC(F)(F)C3)(C1)C2
InChIInChI=1S/C12H17F2NO/c1-8(2)10-3-11(4-10,5-10)9(16)15-6-12(13,14)7-15/h8H,3-7H2,1-2H3
InChIKeyNBYLDZJEQJVARS-UHFFFAOYSA-N
MW229.27 g/mol
LogP2.29
Rot. Bonds2

About (3,3-difluoroazetidin-1-yl)-(3-propan-2-yl-1-bicyclo[1.1.1]pentanyl)methanone

(3,3-difluoroazetidin-1-yl)-(3-propan-2-yl-1-bicyclo[1.1.1]pentanyl)methanone (PubChem CID 176865122) has the molecular formula C12H17F2NO and a molecular weight of 229.27 g/mol. Its IUPAC name is (3,3-difluoroazetidin-1-yl)-(3-propan-2-yl-1-bicyclo[1.1.1]pentanyl)methanone.

Molecular Properties

Compound Name(3,3-difluoroazetidin-1-yl)-(3-propan-2-yl-1-bicyclo[1.1.1]pentanyl)methanone
PubChem CID176865122
Molecular FormulaC12H17F2NO
Molecular Weight229.27 g/mol
Exact Mass229.13
IUPAC Name(3,3-difluoroazetidin-1-yl)-(3-propan-2-yl-1-bicyclo[1.1.1]pentanyl)methanone
SMILESCC(C)C12CC(C(=O)N3CC(F)(F)C3)(C1)C2
InChIInChI=1S/C12H17F2NO/c1-8(2)10-3-11(4-10,5-10)9(16)15-6-12(13,14)7-15/h8H,3-7H2,1-2H3
InChIKeyNBYLDZJEQJVARS-UHFFFAOYSA-N
XLogP2.29
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3,3-difluoroazetidin-1-yl)-(3-propan-2-yl-1-bicyclo[1.1.1]pentanyl)methanone?
The IUPAC name of (3,3-difluoroazetidin-1-yl)-(3-propan-2-yl-1-bicyclo[1.1.1]pentanyl)methanone (CID 176865122) is (3,3-difluoroazetidin-1-yl)-(3-propan-2-yl-1-bicyclo[1.1.1]pentanyl)methanone.
What is the SMILES notation for (3,3-difluoroazetidin-1-yl)-(3-propan-2-yl-1-bicyclo[1.1.1]pentanyl)methanone?
The canonical SMILES for (3,3-difluoroazetidin-1-yl)-(3-propan-2-yl-1-bicyclo[1.1.1]pentanyl)methanone is CC(C)C12CC(C(=O)N3CC(F)(F)C3)(C1)C2.
What is the InChIKey of (3,3-difluoroazetidin-1-yl)-(3-propan-2-yl-1-bicyclo[1.1.1]pentanyl)methanone?
The InChIKey is NBYLDZJEQJVARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO/c1-8(2)10-3-11(4-10,5-10)9(16)15-6-12(13,14)7-15/h8H,3-7H2,1-2H3.
What are the key properties of (3,3-difluoroazetidin-1-yl)-(3-propan-2-yl-1-bicyclo[1.1.1]pentanyl)methanone?
(3,3-difluoroazetidin-1-yl)-(3-propan-2-yl-1-bicyclo[1.1.1]pentanyl)methanone has a molecular weight of 229.27 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluoroazetidin-1-yl)-(3-propan-2-yl-1-bicyclo[1.1.1]pentanyl)methanone is sourced from PubChem (CID 176865122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).