3-(1-fluoroethyl)oxane

C7H13FO — CID 21136565

IUPAC3-(1-fluoroethyl)oxane
SMILESCC(F)C1CCCOC1
InChIInChI=1S/C7H13FO/c1-6(8)7-3-2-4-9-5-7/h6-7H,2-5H2,1H3
InChIKeyJXZHNYINFRJDAN-UHFFFAOYSA-N
MW132.18 g/mol
LogP1.77
Rot. Bonds1

About 3-(1-fluoroethyl)oxane

3-(1-fluoroethyl)oxane (PubChem CID 21136565) has the molecular formula C7H13FO and a molecular weight of 132.18 g/mol. Its IUPAC name is 3-(1-fluoroethyl)oxane.

Molecular Properties

Compound Name3-(1-fluoroethyl)oxane
PubChem CID21136565
Molecular FormulaC7H13FO
Molecular Weight132.18 g/mol
Exact Mass132.10
IUPAC Name3-(1-fluoroethyl)oxane
SMILESCC(F)C1CCCOC1
InChIInChI=1S/C7H13FO/c1-6(8)7-3-2-4-9-5-7/h6-7H,2-5H2,1H3
InChIKeyJXZHNYINFRJDAN-UHFFFAOYSA-N
XLogP1.77
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 ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(1-fluoroethyl)oxane?
The IUPAC name of 3-(1-fluoroethyl)oxane (CID 21136565) is 3-(1-fluoroethyl)oxane.
What is the SMILES notation for 3-(1-fluoroethyl)oxane?
The canonical SMILES for 3-(1-fluoroethyl)oxane is CC(F)C1CCCOC1.
What is the InChIKey of 3-(1-fluoroethyl)oxane?
The InChIKey is JXZHNYINFRJDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FO/c1-6(8)7-3-2-4-9-5-7/h6-7H,2-5H2,1H3.
What are the key properties of 3-(1-fluoroethyl)oxane?
3-(1-fluoroethyl)oxane has a molecular weight of 132.18 g/mol, XLogP of 1.77, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-fluoroethyl)oxane is sourced from PubChem (CID 21136565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).