1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)-2-(methoxymethyl)propane

C7H10F6O3 — CID 21053442

IUPAC1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)-2-(methoxymethyl)propane
SMILESCOCOC(COC)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H10F6O3/c1-14-3-5(6(8,9)10,7(11,12)13)16-4-15-2/h3-4H2,1-2H3
InChIKeyYGEXDAFKLATBNH-UHFFFAOYSA-N
MW256.14 g/mol
LogP2.12
Rot. Bonds5

About 1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)-2-(methoxymethyl)propane

1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)-2-(methoxymethyl)propane (PubChem CID 21053442) has the molecular formula C7H10F6O3 and a molecular weight of 256.14 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)-2-(methoxymethyl)propane.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)-2-(methoxymethyl)propane
PubChem CID21053442
Molecular FormulaC7H10F6O3
Molecular Weight256.14 g/mol
Exact Mass256.05
IUPAC Name1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)-2-(methoxymethyl)propane
SMILESCOCOC(COC)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H10F6O3/c1-14-3-5(6(8,9)10,7(11,12)13)16-4-15-2/h3-4H2,1-2H3
InChIKeyYGEXDAFKLATBNH-UHFFFAOYSA-N
XLogP2.12
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)-2-(methoxymethyl)propane?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)-2-(methoxymethyl)propane (CID 21053442) is 1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)-2-(methoxymethyl)propane.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)-2-(methoxymethyl)propane?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)-2-(methoxymethyl)propane is COCOC(COC)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)-2-(methoxymethyl)propane?
The InChIKey is YGEXDAFKLATBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F6O3/c1-14-3-5(6(8,9)10,7(11,12)13)16-4-15-2/h3-4H2,1-2H3.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)-2-(methoxymethyl)propane?
1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)-2-(methoxymethyl)propane has a molecular weight of 256.14 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)-2-(methoxymethyl)propane is sourced from PubChem (CID 21053442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).