3-fluoro-2,4,5-trimethoxy-6-(methoxymethyl)oxane

C10H19FO5 — CID 6421453

IUPAC3-fluoro-2,4,5-trimethoxy-6-(methoxymethyl)oxane
SMILESCOCC1OC(OC)C(F)C(OC)C1OC
InChIInChI=1S/C10H19FO5/c1-12-5-6-8(13-2)9(14-3)7(11)10(15-4)16-6/h6-10H,5H2,1-4H3
InChIKeyVQYWZTBCIVOBBA-UHFFFAOYSA-N
MW238.25 g/mol
LogP0.37
Rot. Bonds5

About 3-fluoro-2,4,5-trimethoxy-6-(methoxymethyl)oxane

3-fluoro-2,4,5-trimethoxy-6-(methoxymethyl)oxane (PubChem CID 6421453) has the molecular formula C10H19FO5 and a molecular weight of 238.25 g/mol. Its IUPAC name is 3-fluoro-2,4,5-trimethoxy-6-(methoxymethyl)oxane.

Molecular Properties

Compound Name3-fluoro-2,4,5-trimethoxy-6-(methoxymethyl)oxane
PubChem CID6421453
Molecular FormulaC10H19FO5
Molecular Weight238.25 g/mol
Exact Mass238.12
IUPAC Name3-fluoro-2,4,5-trimethoxy-6-(methoxymethyl)oxane
SMILESCOCC1OC(OC)C(F)C(OC)C1OC
InChIInChI=1S/C10H19FO5/c1-12-5-6-8(13-2)9(14-3)7(11)10(15-4)16-6/h6-10H,5H2,1-4H3
InChIKeyVQYWZTBCIVOBBA-UHFFFAOYSA-N
XLogP0.37
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2,4,5-trimethoxy-6-(methoxymethyl)oxane?
The IUPAC name of 3-fluoro-2,4,5-trimethoxy-6-(methoxymethyl)oxane (CID 6421453) is 3-fluoro-2,4,5-trimethoxy-6-(methoxymethyl)oxane.
What is the SMILES notation for 3-fluoro-2,4,5-trimethoxy-6-(methoxymethyl)oxane?
The canonical SMILES for 3-fluoro-2,4,5-trimethoxy-6-(methoxymethyl)oxane is COCC1OC(OC)C(F)C(OC)C1OC.
What is the InChIKey of 3-fluoro-2,4,5-trimethoxy-6-(methoxymethyl)oxane?
The InChIKey is VQYWZTBCIVOBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FO5/c1-12-5-6-8(13-2)9(14-3)7(11)10(15-4)16-6/h6-10H,5H2,1-4H3.
What are the key properties of 3-fluoro-2,4,5-trimethoxy-6-(methoxymethyl)oxane?
3-fluoro-2,4,5-trimethoxy-6-(methoxymethyl)oxane has a molecular weight of 238.25 g/mol, XLogP of 0.37, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2,4,5-trimethoxy-6-(methoxymethyl)oxane is sourced from PubChem (CID 6421453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).