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

C8H15FO2 — CID 90976220

IUPAC4-fluoro-2-(methoxymethyl)-5-methyloxane
SMILESCOCC1CC(F)C(C)CO1
InChIInChI=1S/C8H15FO2/c1-6-4-11-7(5-10-2)3-8(6)9/h6-8H,3-5H2,1-2H3
InChIKeyZEABEUZBPBNFFT-UHFFFAOYSA-N
MW162.20 g/mol
LogP1.40
Rot. Bonds2

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

4-fluoro-2-(methoxymethyl)-5-methyloxane (PubChem CID 90976220) has the molecular formula C8H15FO2 and a molecular weight of 162.20 g/mol. Its IUPAC name is 4-fluoro-2-(methoxymethyl)-5-methyloxane.

Molecular Properties

Compound Name4-fluoro-2-(methoxymethyl)-5-methyloxane
PubChem CID90976220
Molecular FormulaC8H15FO2
Molecular Weight162.20 g/mol
Exact Mass162.11
IUPAC Name4-fluoro-2-(methoxymethyl)-5-methyloxane
SMILESCOCC1CC(F)C(C)CO1
InChIInChI=1S/C8H15FO2/c1-6-4-11-7(5-10-2)3-8(6)9/h6-8H,3-5H2,1-2H3
InChIKeyZEABEUZBPBNFFT-UHFFFAOYSA-N
XLogP1.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.20
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(methoxymethyl)-5-methyloxane?
The IUPAC name of 4-fluoro-2-(methoxymethyl)-5-methyloxane (CID 90976220) is 4-fluoro-2-(methoxymethyl)-5-methyloxane.
What is the SMILES notation for 4-fluoro-2-(methoxymethyl)-5-methyloxane?
The canonical SMILES for 4-fluoro-2-(methoxymethyl)-5-methyloxane is COCC1CC(F)C(C)CO1.
What is the InChIKey of 4-fluoro-2-(methoxymethyl)-5-methyloxane?
The InChIKey is ZEABEUZBPBNFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FO2/c1-6-4-11-7(5-10-2)3-8(6)9/h6-8H,3-5H2,1-2H3.
What are the key properties of 4-fluoro-2-(methoxymethyl)-5-methyloxane?
4-fluoro-2-(methoxymethyl)-5-methyloxane has a molecular weight of 162.20 g/mol, XLogP of 1.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(methoxymethyl)-5-methyloxane is sourced from PubChem (CID 90976220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).