4-fluorooxane

C5H9FO — CID 57418184

IUPAC4-fluorooxane
SMILESFC1CCOCC1
InChIInChI=1S/C5H9FO/c6-5-1-3-7-4-2-5/h5H,1-4H2
InChIKeyQUXVLHIPFRLERT-UHFFFAOYSA-N
MW104.12 g/mol
LogP1.13
Rot. Bonds

About 4-fluorooxane

4-fluorooxane (PubChem CID 57418184) has the molecular formula C5H9FO and a molecular weight of 104.12 g/mol. Its IUPAC name is 4-fluorooxane.

Molecular Properties

Compound Name4-fluorooxane
PubChem CID57418184
Molecular FormulaC5H9FO
Molecular Weight104.12 g/mol
Exact Mass104.06
IUPAC Name4-fluorooxane
SMILESFC1CCOCC1
InChIInChI=1S/C5H9FO/c6-5-1-3-7-4-2-5/h5H,1-4H2
InChIKeyQUXVLHIPFRLERT-UHFFFAOYSA-N
XLogP1.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.12
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluorooxane?
The IUPAC name of 4-fluorooxane (CID 57418184) is 4-fluorooxane.
What is the SMILES notation for 4-fluorooxane?
The canonical SMILES for 4-fluorooxane is FC1CCOCC1.
What is the InChIKey of 4-fluorooxane?
The InChIKey is QUXVLHIPFRLERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FO/c6-5-1-3-7-4-2-5/h5H,1-4H2.
What are the key properties of 4-fluorooxane?
4-fluorooxane has a molecular weight of 104.12 g/mol, XLogP of 1.13, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluorooxane is sourced from PubChem (CID 57418184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).