1,1-diethoxy-1,2,2,3,3,3-hexafluoropropane

C7H10F6O2 — CID 19981080

IUPAC1,1-diethoxy-1,2,2,3,3,3-hexafluoropropane
SMILESCCOC(F)(OCC)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H10F6O2/c1-3-14-7(13,15-4-2)5(8,9)6(10,11)12/h3-4H2,1-2H3
InChIKeyQBRMHIRAUIXFGR-UHFFFAOYSA-N
MW240.14 g/mol
LogP2.88
Rot. Bonds5

About 1,1-diethoxy-1,2,2,3,3,3-hexafluoropropane

1,1-diethoxy-1,2,2,3,3,3-hexafluoropropane (PubChem CID 19981080) has the molecular formula C7H10F6O2 and a molecular weight of 240.14 g/mol. Its IUPAC name is 1,1-diethoxy-1,2,2,3,3,3-hexafluoropropane.

Molecular Properties

Compound Name1,1-diethoxy-1,2,2,3,3,3-hexafluoropropane
PubChem CID19981080
Molecular FormulaC7H10F6O2
Molecular Weight240.14 g/mol
Exact Mass240.06
IUPAC Name1,1-diethoxy-1,2,2,3,3,3-hexafluoropropane
SMILESCCOC(F)(OCC)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H10F6O2/c1-3-14-7(13,15-4-2)5(8,9)6(10,11)12/h3-4H2,1-2H3
InChIKeyQBRMHIRAUIXFGR-UHFFFAOYSA-N
XLogP2.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.14
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-diethoxy-1,2,2,3,3,3-hexafluoropropane?
The IUPAC name of 1,1-diethoxy-1,2,2,3,3,3-hexafluoropropane (CID 19981080) is 1,1-diethoxy-1,2,2,3,3,3-hexafluoropropane.
What is the SMILES notation for 1,1-diethoxy-1,2,2,3,3,3-hexafluoropropane?
The canonical SMILES for 1,1-diethoxy-1,2,2,3,3,3-hexafluoropropane is CCOC(F)(OCC)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1-diethoxy-1,2,2,3,3,3-hexafluoropropane?
The InChIKey is QBRMHIRAUIXFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F6O2/c1-3-14-7(13,15-4-2)5(8,9)6(10,11)12/h3-4H2,1-2H3.
What are the key properties of 1,1-diethoxy-1,2,2,3,3,3-hexafluoropropane?
1,1-diethoxy-1,2,2,3,3,3-hexafluoropropane has a molecular weight of 240.14 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethoxy-1,2,2,3,3,3-hexafluoropropane is sourced from PubChem (CID 19981080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).