3-fluorooxan-2-one

C5H7FO2 — CID 23349513

IUPAC3-fluorooxan-2-one
SMILESO=C1OCCCC1F
InChIInChI=1S/C5H7FO2/c6-4-2-1-3-8-5(4)7/h4H,1-3H2
InChIKeyPJGUNJTUFDLMKR-UHFFFAOYSA-N
MW118.11 g/mol
LogP0.66
Rot. Bonds

About 3-fluorooxan-2-one

3-fluorooxan-2-one (PubChem CID 23349513) has the molecular formula C5H7FO2 and a molecular weight of 118.11 g/mol. Its IUPAC name is 3-fluorooxan-2-one.

Molecular Properties

Compound Name3-fluorooxan-2-one
PubChem CID23349513
Molecular FormulaC5H7FO2
Molecular Weight118.11 g/mol
Exact Mass118.04
IUPAC Name3-fluorooxan-2-one
SMILESO=C1OCCCC1F
InChIInChI=1S/C5H7FO2/c6-4-2-1-3-8-5(4)7/h4H,1-3H2
InChIKeyPJGUNJTUFDLMKR-UHFFFAOYSA-N
XLogP0.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.11
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluorooxan-2-one?
The IUPAC name of 3-fluorooxan-2-one (CID 23349513) is 3-fluorooxan-2-one.
What is the SMILES notation for 3-fluorooxan-2-one?
The canonical SMILES for 3-fluorooxan-2-one is O=C1OCCCC1F.
What is the InChIKey of 3-fluorooxan-2-one?
The InChIKey is PJGUNJTUFDLMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FO2/c6-4-2-1-3-8-5(4)7/h4H,1-3H2.
What are the key properties of 3-fluorooxan-2-one?
3-fluorooxan-2-one has a molecular weight of 118.11 g/mol, XLogP of 0.66, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluorooxan-2-one is sourced from PubChem (CID 23349513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).