3-ethyl-4-fluorooxolane

C6H11FO — CID 146569448

IUPAC3-ethyl-4-fluorooxolane
SMILESCCC1COCC1F
InChIInChI=1S/C6H11FO/c1-2-5-3-8-4-6(5)7/h5-6H,2-4H2,1H3
InChIKeyYHNQTQULPLGSCP-UHFFFAOYSA-N
MW118.15 g/mol
LogP1.38
Rot. Bonds1

About 3-ethyl-4-fluorooxolane

3-ethyl-4-fluorooxolane (PubChem CID 146569448) has the molecular formula C6H11FO and a molecular weight of 118.15 g/mol. Its IUPAC name is 3-ethyl-4-fluorooxolane.

Molecular Properties

Compound Name3-ethyl-4-fluorooxolane
PubChem CID146569448
Molecular FormulaC6H11FO
Molecular Weight118.15 g/mol
Exact Mass118.08
IUPAC Name3-ethyl-4-fluorooxolane
SMILESCCC1COCC1F
InChIInChI=1S/C6H11FO/c1-2-5-3-8-4-6(5)7/h5-6H,2-4H2,1H3
InChIKeyYHNQTQULPLGSCP-UHFFFAOYSA-N
XLogP1.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.15
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-fluorooxolane?
The IUPAC name of 3-ethyl-4-fluorooxolane (CID 146569448) is 3-ethyl-4-fluorooxolane.
What is the SMILES notation for 3-ethyl-4-fluorooxolane?
The canonical SMILES for 3-ethyl-4-fluorooxolane is CCC1COCC1F.
What is the InChIKey of 3-ethyl-4-fluorooxolane?
The InChIKey is YHNQTQULPLGSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FO/c1-2-5-3-8-4-6(5)7/h5-6H,2-4H2,1H3.
What are the key properties of 3-ethyl-4-fluorooxolane?
3-ethyl-4-fluorooxolane has a molecular weight of 118.15 g/mol, XLogP of 1.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-fluorooxolane is sourced from PubChem (CID 146569448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).