1-(4-fluorooxan-4-yl)ethanone

C7H11FO2 — CID 58356077

IUPAC1-(4-fluorooxan-4-yl)ethanone
SMILESCC(=O)C1(F)CCOCC1
InChIInChI=1S/C7H11FO2/c1-6(9)7(8)2-4-10-5-3-7/h2-5H2,1H3
InChIKeyDGXZIKBQMXSHQM-UHFFFAOYSA-N
MW146.16 g/mol
LogP1.09
Rot. Bonds1

About 1-(4-fluorooxan-4-yl)ethanone

1-(4-fluorooxan-4-yl)ethanone (PubChem CID 58356077) has the molecular formula C7H11FO2 and a molecular weight of 146.16 g/mol. Its IUPAC name is 1-(4-fluorooxan-4-yl)ethanone.

Molecular Properties

Compound Name1-(4-fluorooxan-4-yl)ethanone
PubChem CID58356077
Molecular FormulaC7H11FO2
Molecular Weight146.16 g/mol
Exact Mass146.07
IUPAC Name1-(4-fluorooxan-4-yl)ethanone
SMILESCC(=O)C1(F)CCOCC1
InChIInChI=1S/C7H11FO2/c1-6(9)7(8)2-4-10-5-3-7/h2-5H2,1H3
InChIKeyDGXZIKBQMXSHQM-UHFFFAOYSA-N
XLogP1.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.16
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorooxan-4-yl)ethanone?
The IUPAC name of 1-(4-fluorooxan-4-yl)ethanone (CID 58356077) is 1-(4-fluorooxan-4-yl)ethanone.
What is the SMILES notation for 1-(4-fluorooxan-4-yl)ethanone?
The canonical SMILES for 1-(4-fluorooxan-4-yl)ethanone is CC(=O)C1(F)CCOCC1.
What is the InChIKey of 1-(4-fluorooxan-4-yl)ethanone?
The InChIKey is DGXZIKBQMXSHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FO2/c1-6(9)7(8)2-4-10-5-3-7/h2-5H2,1H3.
What are the key properties of 1-(4-fluorooxan-4-yl)ethanone?
1-(4-fluorooxan-4-yl)ethanone has a molecular weight of 146.16 g/mol, XLogP of 1.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorooxan-4-yl)ethanone is sourced from PubChem (CID 58356077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).