cyclohexyl-(3-fluoroazetidin-1-yl)methanone

C10H16FNO — CID 130678406

IUPACcyclohexyl-(3-fluoroazetidin-1-yl)methanone
SMILESO=C(C1CCCCC1)N1CC(F)C1
InChIInChI=1S/C10H16FNO/c11-9-6-12(7-9)10(13)8-4-2-1-3-5-8/h8-9H,1-7H2
InChIKeyIWEAZLODLRUJQI-UHFFFAOYSA-N
MW185.24 g/mol
LogP1.75
Rot. Bonds1

About cyclohexyl-(3-fluoroazetidin-1-yl)methanone

cyclohexyl-(3-fluoroazetidin-1-yl)methanone (PubChem CID 130678406) has the molecular formula C10H16FNO and a molecular weight of 185.24 g/mol. Its IUPAC name is cyclohexyl-(3-fluoroazetidin-1-yl)methanone.

Molecular Properties

Compound Namecyclohexyl-(3-fluoroazetidin-1-yl)methanone
PubChem CID130678406
Molecular FormulaC10H16FNO
Molecular Weight185.24 g/mol
Exact Mass185.12
IUPAC Namecyclohexyl-(3-fluoroazetidin-1-yl)methanone
SMILESO=C(C1CCCCC1)N1CC(F)C1
InChIInChI=1S/C10H16FNO/c11-9-6-12(7-9)10(13)8-4-2-1-3-5-8/h8-9H,1-7H2
InChIKeyIWEAZLODLRUJQI-UHFFFAOYSA-N
XLogP1.75
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.24
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(3-fluoroazetidin-1-yl)methanone?
The IUPAC name of cyclohexyl-(3-fluoroazetidin-1-yl)methanone (CID 130678406) is cyclohexyl-(3-fluoroazetidin-1-yl)methanone.
What is the SMILES notation for cyclohexyl-(3-fluoroazetidin-1-yl)methanone?
The canonical SMILES for cyclohexyl-(3-fluoroazetidin-1-yl)methanone is O=C(C1CCCCC1)N1CC(F)C1.
What is the InChIKey of cyclohexyl-(3-fluoroazetidin-1-yl)methanone?
The InChIKey is IWEAZLODLRUJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FNO/c11-9-6-12(7-9)10(13)8-4-2-1-3-5-8/h8-9H,1-7H2.
What are the key properties of cyclohexyl-(3-fluoroazetidin-1-yl)methanone?
cyclohexyl-(3-fluoroazetidin-1-yl)methanone has a molecular weight of 185.24 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(3-fluoroazetidin-1-yl)methanone is sourced from PubChem (CID 130678406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).