2-ethyl-3-fluoro-6-methoxy-4-methyl-5-propyloxane

C12H23FO2 — CID 90702155

IUPAC2-ethyl-3-fluoro-6-methoxy-4-methyl-5-propyloxane
SMILESCCCC1C(OC)OC(CC)C(F)C1C
InChIInChI=1S/C12H23FO2/c1-5-7-9-8(3)11(13)10(6-2)15-12(9)14-4/h8-12H,5-7H2,1-4H3
InChIKeyKVUSAUWTCZOBAB-UHFFFAOYSA-N
MW218.31 g/mol
LogP3.16
Rot. Bonds4

About 2-ethyl-3-fluoro-6-methoxy-4-methyl-5-propyloxane

2-ethyl-3-fluoro-6-methoxy-4-methyl-5-propyloxane (PubChem CID 90702155) has the molecular formula C12H23FO2 and a molecular weight of 218.31 g/mol. Its IUPAC name is 2-ethyl-3-fluoro-6-methoxy-4-methyl-5-propyloxane.

Molecular Properties

Compound Name2-ethyl-3-fluoro-6-methoxy-4-methyl-5-propyloxane
PubChem CID90702155
Molecular FormulaC12H23FO2
Molecular Weight218.31 g/mol
Exact Mass218.17
IUPAC Name2-ethyl-3-fluoro-6-methoxy-4-methyl-5-propyloxane
SMILESCCCC1C(OC)OC(CC)C(F)C1C
InChIInChI=1S/C12H23FO2/c1-5-7-9-8(3)11(13)10(6-2)15-12(9)14-4/h8-12H,5-7H2,1-4H3
InChIKeyKVUSAUWTCZOBAB-UHFFFAOYSA-N
XLogP3.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.31
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-fluoro-6-methoxy-4-methyl-5-propyloxane?
The IUPAC name of 2-ethyl-3-fluoro-6-methoxy-4-methyl-5-propyloxane (CID 90702155) is 2-ethyl-3-fluoro-6-methoxy-4-methyl-5-propyloxane.
What is the SMILES notation for 2-ethyl-3-fluoro-6-methoxy-4-methyl-5-propyloxane?
The canonical SMILES for 2-ethyl-3-fluoro-6-methoxy-4-methyl-5-propyloxane is CCCC1C(OC)OC(CC)C(F)C1C.
What is the InChIKey of 2-ethyl-3-fluoro-6-methoxy-4-methyl-5-propyloxane?
The InChIKey is KVUSAUWTCZOBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23FO2/c1-5-7-9-8(3)11(13)10(6-2)15-12(9)14-4/h8-12H,5-7H2,1-4H3.
What are the key properties of 2-ethyl-3-fluoro-6-methoxy-4-methyl-5-propyloxane?
2-ethyl-3-fluoro-6-methoxy-4-methyl-5-propyloxane has a molecular weight of 218.31 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-fluoro-6-methoxy-4-methyl-5-propyloxane is sourced from PubChem (CID 90702155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).