2-ethyl-2-fluoro-3-methyloxane

C8H15FO — CID 58545281

IUPAC2-ethyl-2-fluoro-3-methyloxane
SMILESCCC1(F)OCCCC1C
InChIInChI=1S/C8H15FO/c1-3-8(9)7(2)5-4-6-10-8/h7H,3-6H2,1-2H3
InChIKeyALGHNFOHLIJDDE-UHFFFAOYSA-N
MW146.21 g/mol
LogP2.51
Rot. Bonds1

About 2-ethyl-2-fluoro-3-methyloxane

2-ethyl-2-fluoro-3-methyloxane (PubChem CID 58545281) has the molecular formula C8H15FO and a molecular weight of 146.21 g/mol. Its IUPAC name is 2-ethyl-2-fluoro-3-methyloxane.

Molecular Properties

Compound Name2-ethyl-2-fluoro-3-methyloxane
PubChem CID58545281
Molecular FormulaC8H15FO
Molecular Weight146.21 g/mol
Exact Mass146.11
IUPAC Name2-ethyl-2-fluoro-3-methyloxane
SMILESCCC1(F)OCCCC1C
InChIInChI=1S/C8H15FO/c1-3-8(9)7(2)5-4-6-10-8/h7H,3-6H2,1-2H3
InChIKeyALGHNFOHLIJDDE-UHFFFAOYSA-N
XLogP2.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.21
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-fluoro-3-methyloxane?
The IUPAC name of 2-ethyl-2-fluoro-3-methyloxane (CID 58545281) is 2-ethyl-2-fluoro-3-methyloxane.
What is the SMILES notation for 2-ethyl-2-fluoro-3-methyloxane?
The canonical SMILES for 2-ethyl-2-fluoro-3-methyloxane is CCC1(F)OCCCC1C.
What is the InChIKey of 2-ethyl-2-fluoro-3-methyloxane?
The InChIKey is ALGHNFOHLIJDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FO/c1-3-8(9)7(2)5-4-6-10-8/h7H,3-6H2,1-2H3.
What are the key properties of 2-ethyl-2-fluoro-3-methyloxane?
2-ethyl-2-fluoro-3-methyloxane has a molecular weight of 146.21 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-fluoro-3-methyloxane is sourced from PubChem (CID 58545281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).