2-[2-(fluoromethyl)-4-methylpentoxy]oxane

C12H23FO2 — CID 138656745

IUPAC2-[2-(fluoromethyl)-4-methylpentoxy]oxane
SMILESCC(C)CC(CF)COC1CCCCO1
InChIInChI=1S/C12H23FO2/c1-10(2)7-11(8-13)9-15-12-5-3-4-6-14-12/h10-12H,3-9H2,1-2H3
InChIKeyGCGXVZOZAFAGDT-UHFFFAOYSA-N
MW218.31 g/mol
LogP3.16
Rot. Bonds6

About 2-[2-(fluoromethyl)-4-methylpentoxy]oxane

2-[2-(fluoromethyl)-4-methylpentoxy]oxane (PubChem CID 138656745) has the molecular formula C12H23FO2 and a molecular weight of 218.31 g/mol. Its IUPAC name is 2-[2-(fluoromethyl)-4-methylpentoxy]oxane.

Molecular Properties

Compound Name2-[2-(fluoromethyl)-4-methylpentoxy]oxane
PubChem CID138656745
Molecular FormulaC12H23FO2
Molecular Weight218.31 g/mol
Exact Mass218.17
IUPAC Name2-[2-(fluoromethyl)-4-methylpentoxy]oxane
SMILESCC(C)CC(CF)COC1CCCCO1
InChIInChI=1S/C12H23FO2/c1-10(2)7-11(8-13)9-15-12-5-3-4-6-14-12/h10-12H,3-9H2,1-2H3
InChIKeyGCGXVZOZAFAGDT-UHFFFAOYSA-N
XLogP3.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.31
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[2-(fluoromethyl)-4-methylpentoxy]oxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(fluoromethyl)-4-methylpentoxy]oxane?
The IUPAC name of 2-[2-(fluoromethyl)-4-methylpentoxy]oxane (CID 138656745) is 2-[2-(fluoromethyl)-4-methylpentoxy]oxane.
What is the SMILES notation for 2-[2-(fluoromethyl)-4-methylpentoxy]oxane?
The canonical SMILES for 2-[2-(fluoromethyl)-4-methylpentoxy]oxane is CC(C)CC(CF)COC1CCCCO1.
What is the InChIKey of 2-[2-(fluoromethyl)-4-methylpentoxy]oxane?
The InChIKey is GCGXVZOZAFAGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23FO2/c1-10(2)7-11(8-13)9-15-12-5-3-4-6-14-12/h10-12H,3-9H2,1-2H3.
What are the key properties of 2-[2-(fluoromethyl)-4-methylpentoxy]oxane?
2-[2-(fluoromethyl)-4-methylpentoxy]oxane has a molecular weight of 218.31 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(fluoromethyl)-4-methylpentoxy]oxane is sourced from PubChem (CID 138656745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).