2,2-difluoro-5-(5-pentyloxan-2-yl)-1,3-dioxane

C14H24F2O3 — CID 59876010

IUPAC2,2-difluoro-5-(5-pentyloxan-2-yl)-1,3-dioxane
SMILESCCCCCC1CCC(C2COC(F)(F)OC2)OC1
InChIInChI=1S/C14H24F2O3/c1-2-3-4-5-11-6-7-13(17-8-11)12-9-18-14(15,16)19-10-12/h11-13H,2-10H2,1H3
InChIKeyOOBMZOIHTSOZCI-UHFFFAOYSA-N
MW278.34 g/mol
LogP3.58
Rot. Bonds5

About 2,2-difluoro-5-(5-pentyloxan-2-yl)-1,3-dioxane

2,2-difluoro-5-(5-pentyloxan-2-yl)-1,3-dioxane (PubChem CID 59876010) has the molecular formula C14H24F2O3 and a molecular weight of 278.34 g/mol. Its IUPAC name is 2,2-difluoro-5-(5-pentyloxan-2-yl)-1,3-dioxane.

Molecular Properties

Compound Name2,2-difluoro-5-(5-pentyloxan-2-yl)-1,3-dioxane
PubChem CID59876010
Molecular FormulaC14H24F2O3
Molecular Weight278.34 g/mol
Exact Mass278.17
IUPAC Name2,2-difluoro-5-(5-pentyloxan-2-yl)-1,3-dioxane
SMILESCCCCCC1CCC(C2COC(F)(F)OC2)OC1
InChIInChI=1S/C14H24F2O3/c1-2-3-4-5-11-6-7-13(17-8-11)12-9-18-14(15,16)19-10-12/h11-13H,2-10H2,1H3
InChIKeyOOBMZOIHTSOZCI-UHFFFAOYSA-N
XLogP3.58
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,2-difluoro-5-(5-pentyloxan-2-yl)-1,3-dioxane 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-difluoro-5-(5-pentyloxan-2-yl)-1,3-dioxane?
The IUPAC name of 2,2-difluoro-5-(5-pentyloxan-2-yl)-1,3-dioxane (CID 59876010) is 2,2-difluoro-5-(5-pentyloxan-2-yl)-1,3-dioxane.
What is the SMILES notation for 2,2-difluoro-5-(5-pentyloxan-2-yl)-1,3-dioxane?
The canonical SMILES for 2,2-difluoro-5-(5-pentyloxan-2-yl)-1,3-dioxane is CCCCCC1CCC(C2COC(F)(F)OC2)OC1.
What is the InChIKey of 2,2-difluoro-5-(5-pentyloxan-2-yl)-1,3-dioxane?
The InChIKey is OOBMZOIHTSOZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F2O3/c1-2-3-4-5-11-6-7-13(17-8-11)12-9-18-14(15,16)19-10-12/h11-13H,2-10H2,1H3.
What are the key properties of 2,2-difluoro-5-(5-pentyloxan-2-yl)-1,3-dioxane?
2,2-difluoro-5-(5-pentyloxan-2-yl)-1,3-dioxane has a molecular weight of 278.34 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-5-(5-pentyloxan-2-yl)-1,3-dioxane is sourced from PubChem (CID 59876010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).