2-(butoxymethyl)-5,5-difluorooxane

C10H18F2O2 — CID 71290460

IUPAC2-(butoxymethyl)-5,5-difluorooxane
SMILESCCCCOCC1CCC(F)(F)CO1
InChIInChI=1S/C10H18F2O2/c1-2-3-6-13-7-9-4-5-10(11,12)8-14-9/h9H,2-8H2,1H3
InChIKeyIOKDFANWANATEN-UHFFFAOYSA-N
MW208.25 g/mol
LogP2.62
Rot. Bonds5

About 2-(butoxymethyl)-5,5-difluorooxane

2-(butoxymethyl)-5,5-difluorooxane (PubChem CID 71290460) has the molecular formula C10H18F2O2 and a molecular weight of 208.25 g/mol. Its IUPAC name is 2-(butoxymethyl)-5,5-difluorooxane.

Molecular Properties

Compound Name2-(butoxymethyl)-5,5-difluorooxane
PubChem CID71290460
Molecular FormulaC10H18F2O2
Molecular Weight208.25 g/mol
Exact Mass208.13
IUPAC Name2-(butoxymethyl)-5,5-difluorooxane
SMILESCCCCOCC1CCC(F)(F)CO1
InChIInChI=1S/C10H18F2O2/c1-2-3-6-13-7-9-4-5-10(11,12)8-14-9/h9H,2-8H2,1H3
InChIKeyIOKDFANWANATEN-UHFFFAOYSA-N
XLogP2.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.25
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(butoxymethyl)-5,5-difluorooxane?
The IUPAC name of 2-(butoxymethyl)-5,5-difluorooxane (CID 71290460) is 2-(butoxymethyl)-5,5-difluorooxane.
What is the SMILES notation for 2-(butoxymethyl)-5,5-difluorooxane?
The canonical SMILES for 2-(butoxymethyl)-5,5-difluorooxane is CCCCOCC1CCC(F)(F)CO1.
What is the InChIKey of 2-(butoxymethyl)-5,5-difluorooxane?
The InChIKey is IOKDFANWANATEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2O2/c1-2-3-6-13-7-9-4-5-10(11,12)8-14-9/h9H,2-8H2,1H3.
What are the key properties of 2-(butoxymethyl)-5,5-difluorooxane?
2-(butoxymethyl)-5,5-difluorooxane has a molecular weight of 208.25 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butoxymethyl)-5,5-difluorooxane is sourced from PubChem (CID 71290460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).