1-(dimethoxymethoxy)-4,4-difluorooctan-3-one

C11H20F2O4 — CID 144534919

IUPAC1-(dimethoxymethoxy)-4,4-difluorooctan-3-one
SMILESCCCCC(F)(F)C(=O)CCOC(OC)OC
InChIInChI=1S/C11H20F2O4/c1-4-5-7-11(12,13)9(14)6-8-17-10(15-2)16-3/h10H,4-8H2,1-3H3
InChIKeyCKJDRGQSAMPPPM-UHFFFAOYSA-N
MW254.27 g/mol
LogP2.36
Rot. Bonds10

About 1-(dimethoxymethoxy)-4,4-difluorooctan-3-one

1-(dimethoxymethoxy)-4,4-difluorooctan-3-one (PubChem CID 144534919) has the molecular formula C11H20F2O4 and a molecular weight of 254.27 g/mol. Its IUPAC name is 1-(dimethoxymethoxy)-4,4-difluorooctan-3-one.

Molecular Properties

Compound Name1-(dimethoxymethoxy)-4,4-difluorooctan-3-one
PubChem CID144534919
Molecular FormulaC11H20F2O4
Molecular Weight254.27 g/mol
Exact Mass254.13
IUPAC Name1-(dimethoxymethoxy)-4,4-difluorooctan-3-one
SMILESCCCCC(F)(F)C(=O)CCOC(OC)OC
InChIInChI=1S/C11H20F2O4/c1-4-5-7-11(12,13)9(14)6-8-17-10(15-2)16-3/h10H,4-8H2,1-3H3
InChIKeyCKJDRGQSAMPPPM-UHFFFAOYSA-N
XLogP2.36
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.27
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(dimethoxymethoxy)-4,4-difluorooctan-3-one?
The IUPAC name of 1-(dimethoxymethoxy)-4,4-difluorooctan-3-one (CID 144534919) is 1-(dimethoxymethoxy)-4,4-difluorooctan-3-one.
What is the SMILES notation for 1-(dimethoxymethoxy)-4,4-difluorooctan-3-one?
The canonical SMILES for 1-(dimethoxymethoxy)-4,4-difluorooctan-3-one is CCCCC(F)(F)C(=O)CCOC(OC)OC.
What is the InChIKey of 1-(dimethoxymethoxy)-4,4-difluorooctan-3-one?
The InChIKey is CKJDRGQSAMPPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2O4/c1-4-5-7-11(12,13)9(14)6-8-17-10(15-2)16-3/h10H,4-8H2,1-3H3.
What are the key properties of 1-(dimethoxymethoxy)-4,4-difluorooctan-3-one?
1-(dimethoxymethoxy)-4,4-difluorooctan-3-one has a molecular weight of 254.27 g/mol, XLogP of 2.36, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethoxymethoxy)-4,4-difluorooctan-3-one is sourced from PubChem (CID 144534919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).