4-(fluoromethyl)-2-(methoxymethyl)-2-methyloxolane

C8H15FO2 — CID 141011045

IUPAC4-(fluoromethyl)-2-(methoxymethyl)-2-methyloxolane
SMILESCOCC1(C)CC(CF)CO1
InChIInChI=1S/C8H15FO2/c1-8(6-10-2)3-7(4-9)5-11-8/h7H,3-6H2,1-2H3
InChIKeyXWEQTLWYRICJOU-UHFFFAOYSA-N
MW162.20 g/mol
LogP1.40
Rot. Bonds3

About 4-(fluoromethyl)-2-(methoxymethyl)-2-methyloxolane

4-(fluoromethyl)-2-(methoxymethyl)-2-methyloxolane (PubChem CID 141011045) has the molecular formula C8H15FO2 and a molecular weight of 162.20 g/mol. Its IUPAC name is 4-(fluoromethyl)-2-(methoxymethyl)-2-methyloxolane.

Molecular Properties

Compound Name4-(fluoromethyl)-2-(methoxymethyl)-2-methyloxolane
PubChem CID141011045
Molecular FormulaC8H15FO2
Molecular Weight162.20 g/mol
Exact Mass162.11
IUPAC Name4-(fluoromethyl)-2-(methoxymethyl)-2-methyloxolane
SMILESCOCC1(C)CC(CF)CO1
InChIInChI=1S/C8H15FO2/c1-8(6-10-2)3-7(4-9)5-11-8/h7H,3-6H2,1-2H3
InChIKeyXWEQTLWYRICJOU-UHFFFAOYSA-N
XLogP1.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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-(fluoromethyl)-2-(methoxymethyl)-2-methyloxolane?
The IUPAC name of 4-(fluoromethyl)-2-(methoxymethyl)-2-methyloxolane (CID 141011045) is 4-(fluoromethyl)-2-(methoxymethyl)-2-methyloxolane.
What is the SMILES notation for 4-(fluoromethyl)-2-(methoxymethyl)-2-methyloxolane?
The canonical SMILES for 4-(fluoromethyl)-2-(methoxymethyl)-2-methyloxolane is COCC1(C)CC(CF)CO1.
What is the InChIKey of 4-(fluoromethyl)-2-(methoxymethyl)-2-methyloxolane?
The InChIKey is XWEQTLWYRICJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FO2/c1-8(6-10-2)3-7(4-9)5-11-8/h7H,3-6H2,1-2H3.
What are the key properties of 4-(fluoromethyl)-2-(methoxymethyl)-2-methyloxolane?
4-(fluoromethyl)-2-(methoxymethyl)-2-methyloxolane has a molecular weight of 162.20 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-2-(methoxymethyl)-2-methyloxolane is sourced from PubChem (CID 141011045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).