(3,3-difluoro-1-propan-2-ylcyclobutyl)-(3-fluoroazetidin-1-yl)methanone

C11H16F3NO — CID 134598954

IUPAC(3,3-difluoro-1-propan-2-ylcyclobutyl)-(3-fluoroazetidin-1-yl)methanone
SMILESCC(C)C1(C(=O)N2CC(F)C2)CC(F)(F)C1
InChIInChI=1S/C11H16F3NO/c1-7(2)10(5-11(13,14)6-10)9(16)15-3-8(12)4-15/h7-8H,3-6H2,1-2H3
InChIKeyUVSCOWZWIGNVNL-UHFFFAOYSA-N
MW235.25 g/mol
LogP2.24
Rot. Bonds2

About (3,3-difluoro-1-propan-2-ylcyclobutyl)-(3-fluoroazetidin-1-yl)methanone

(3,3-difluoro-1-propan-2-ylcyclobutyl)-(3-fluoroazetidin-1-yl)methanone (PubChem CID 134598954) has the molecular formula C11H16F3NO and a molecular weight of 235.25 g/mol. Its IUPAC name is (3,3-difluoro-1-propan-2-ylcyclobutyl)-(3-fluoroazetidin-1-yl)methanone.

Molecular Properties

Compound Name(3,3-difluoro-1-propan-2-ylcyclobutyl)-(3-fluoroazetidin-1-yl)methanone
PubChem CID134598954
Molecular FormulaC11H16F3NO
Molecular Weight235.25 g/mol
Exact Mass235.12
IUPAC Name(3,3-difluoro-1-propan-2-ylcyclobutyl)-(3-fluoroazetidin-1-yl)methanone
SMILESCC(C)C1(C(=O)N2CC(F)C2)CC(F)(F)C1
InChIInChI=1S/C11H16F3NO/c1-7(2)10(5-11(13,14)6-10)9(16)15-3-8(12)4-15/h7-8H,3-6H2,1-2H3
InChIKeyUVSCOWZWIGNVNL-UHFFFAOYSA-N
XLogP2.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3,3-difluoro-1-propan-2-ylcyclobutyl)-(3-fluoroazetidin-1-yl)methanone?
The IUPAC name of (3,3-difluoro-1-propan-2-ylcyclobutyl)-(3-fluoroazetidin-1-yl)methanone (CID 134598954) is (3,3-difluoro-1-propan-2-ylcyclobutyl)-(3-fluoroazetidin-1-yl)methanone.
What is the SMILES notation for (3,3-difluoro-1-propan-2-ylcyclobutyl)-(3-fluoroazetidin-1-yl)methanone?
The canonical SMILES for (3,3-difluoro-1-propan-2-ylcyclobutyl)-(3-fluoroazetidin-1-yl)methanone is CC(C)C1(C(=O)N2CC(F)C2)CC(F)(F)C1.
What is the InChIKey of (3,3-difluoro-1-propan-2-ylcyclobutyl)-(3-fluoroazetidin-1-yl)methanone?
The InChIKey is UVSCOWZWIGNVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO/c1-7(2)10(5-11(13,14)6-10)9(16)15-3-8(12)4-15/h7-8H,3-6H2,1-2H3.
What are the key properties of (3,3-difluoro-1-propan-2-ylcyclobutyl)-(3-fluoroazetidin-1-yl)methanone?
(3,3-difluoro-1-propan-2-ylcyclobutyl)-(3-fluoroazetidin-1-yl)methanone has a molecular weight of 235.25 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluoro-1-propan-2-ylcyclobutyl)-(3-fluoroazetidin-1-yl)methanone is sourced from PubChem (CID 134598954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).