3-ethyl-2-fluorooxane

C7H13FO — CID 58813258

IUPAC3-ethyl-2-fluorooxane
SMILESCCC1CCCOC1F
InChIInChI=1S/C7H13FO/c1-2-6-4-3-5-9-7(6)8/h6-7H,2-5H2,1H3
InChIKeyVQPAXNVTXAUAET-UHFFFAOYSA-N
MW132.18 g/mol
LogP2.12
Rot. Bonds1

About 3-ethyl-2-fluorooxane

3-ethyl-2-fluorooxane (PubChem CID 58813258) has the molecular formula C7H13FO and a molecular weight of 132.18 g/mol. Its IUPAC name is 3-ethyl-2-fluorooxane.

Molecular Properties

Compound Name3-ethyl-2-fluorooxane
PubChem CID58813258
Molecular FormulaC7H13FO
Molecular Weight132.18 g/mol
Exact Mass132.10
IUPAC Name3-ethyl-2-fluorooxane
SMILESCCC1CCCOC1F
InChIInChI=1S/C7H13FO/c1-2-6-4-3-5-9-7(6)8/h6-7H,2-5H2,1H3
InChIKeyVQPAXNVTXAUAET-UHFFFAOYSA-N
XLogP2.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.18
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-fluorooxane?
The IUPAC name of 3-ethyl-2-fluorooxane (CID 58813258) is 3-ethyl-2-fluorooxane.
What is the SMILES notation for 3-ethyl-2-fluorooxane?
The canonical SMILES for 3-ethyl-2-fluorooxane is CCC1CCCOC1F.
What is the InChIKey of 3-ethyl-2-fluorooxane?
The InChIKey is VQPAXNVTXAUAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FO/c1-2-6-4-3-5-9-7(6)8/h6-7H,2-5H2,1H3.
What are the key properties of 3-ethyl-2-fluorooxane?
3-ethyl-2-fluorooxane has a molecular weight of 132.18 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-fluorooxane is sourced from PubChem (CID 58813258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).