3-ethoxy-4-fluoro-2-(methoxymethyl)-5-methyloxane

C10H19FO3 — CID 90768889

IUPAC3-ethoxy-4-fluoro-2-(methoxymethyl)-5-methyloxane
SMILESCCOC1C(COC)OCC(C)C1F
InChIInChI=1S/C10H19FO3/c1-4-13-10-8(6-12-3)14-5-7(2)9(10)11/h7-10H,4-6H2,1-3H3
InChIKeyCYIBFDJJGJUACC-UHFFFAOYSA-N
MW206.26 g/mol
LogP1.41
Rot. Bonds4

About 3-ethoxy-4-fluoro-2-(methoxymethyl)-5-methyloxane

3-ethoxy-4-fluoro-2-(methoxymethyl)-5-methyloxane (PubChem CID 90768889) has the molecular formula C10H19FO3 and a molecular weight of 206.26 g/mol. Its IUPAC name is 3-ethoxy-4-fluoro-2-(methoxymethyl)-5-methyloxane.

Molecular Properties

Compound Name3-ethoxy-4-fluoro-2-(methoxymethyl)-5-methyloxane
PubChem CID90768889
Molecular FormulaC10H19FO3
Molecular Weight206.26 g/mol
Exact Mass206.13
IUPAC Name3-ethoxy-4-fluoro-2-(methoxymethyl)-5-methyloxane
SMILESCCOC1C(COC)OCC(C)C1F
InChIInChI=1S/C10H19FO3/c1-4-13-10-8(6-12-3)14-5-7(2)9(10)11/h7-10H,4-6H2,1-3H3
InChIKeyCYIBFDJJGJUACC-UHFFFAOYSA-N
XLogP1.41
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4R,5S,6S)-2-fluoro-3,4,5-trimethoxy-6-methyloxane
CID 134895222
(2R,3S,4S,5R)-4-(2-fluoroethoxy)-5-methyl-3-propan-2-yloxy-2-(propan-2-yloxymethyl)oxane
CID 58061995
(4S,5R)-2-fluoro-6-(methoxymethyl)-3,4,5-trimethyloxane
CID 58241360
(3R,4S)-2-(ethoxymethyl)-6-fluoro-3,4,5-trimethyloxane
CID 58241375
(4S,5R)-2-fluoro-3,4,5-trimethyl-6-(propoxymethyl)oxane
CID 58241383
(2R,3R,4S,5R)-4-fluoro-5-methyl-3-propan-2-yloxy-2-(propan-2-yloxymethyl)oxane
CID 60138928
(2R,4S,5R)-4-fluoro-5-methyl-3-propan-2-yloxy-2-(propan-2-yloxymethyl)oxane
CID 60138954
(2R,3R,4S,5R)-4-fluoro-3-methoxy-2-(methoxymethyl)-5-methyloxane
CID 67501840
4-Fluoro-3-methoxy-2-(methoxymethyl)-5-methyloxane
CID 77304266
1-(3-Ethoxybutan-2-yloxy)-4,4-difluoro-5-methylhexane
CID 88975412
(2R,3R,4S,5R)-4-fluoro-5-methyl-3-[(2-methylpropan-2-yl)oxy]-2-(propan-2-yloxymethyl)oxane
CID 89707817
4-Fluoro-2-(methoxymethyl)-5-methyloxane
CID 90976220

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-fluoro-2-(methoxymethyl)-5-methyloxane?
The IUPAC name of 3-ethoxy-4-fluoro-2-(methoxymethyl)-5-methyloxane (CID 90768889) is 3-ethoxy-4-fluoro-2-(methoxymethyl)-5-methyloxane.
What is the SMILES notation for 3-ethoxy-4-fluoro-2-(methoxymethyl)-5-methyloxane?
The canonical SMILES for 3-ethoxy-4-fluoro-2-(methoxymethyl)-5-methyloxane is CCOC1C(COC)OCC(C)C1F.
What is the InChIKey of 3-ethoxy-4-fluoro-2-(methoxymethyl)-5-methyloxane?
The InChIKey is CYIBFDJJGJUACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FO3/c1-4-13-10-8(6-12-3)14-5-7(2)9(10)11/h7-10H,4-6H2,1-3H3.
What are the key properties of 3-ethoxy-4-fluoro-2-(methoxymethyl)-5-methyloxane?
3-ethoxy-4-fluoro-2-(methoxymethyl)-5-methyloxane has a molecular weight of 206.26 g/mol, XLogP of 1.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-fluoro-2-(methoxymethyl)-5-methyloxane is sourced from PubChem (CID 90768889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).