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

C7H10F6O2 — CID 18927719

IUPAC2,2-diethoxy-1,1,1,3,3,3-hexafluoropropane
SMILESCCOC(OCC)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H10F6O2/c1-3-14-5(15-4-2,6(8,9)10)7(11,12)13/h3-4H2,1-2H3
InChIKeyHTYASFAYQOUDEV-UHFFFAOYSA-N
MW240.14 g/mol
LogP2.88
Rot. Bonds4

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

2,2-diethoxy-1,1,1,3,3,3-hexafluoropropane (PubChem CID 18927719) has the molecular formula C7H10F6O2 and a molecular weight of 240.14 g/mol. Its IUPAC name is 2,2-diethoxy-1,1,1,3,3,3-hexafluoropropane.

Molecular Properties

Compound Name2,2-diethoxy-1,1,1,3,3,3-hexafluoropropane
PubChem CID18927719
Molecular FormulaC7H10F6O2
Molecular Weight240.14 g/mol
Exact Mass240.06
IUPAC Name2,2-diethoxy-1,1,1,3,3,3-hexafluoropropane
SMILESCCOC(OCC)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H10F6O2/c1-3-14-5(15-4-2,6(8,9)10)7(11,12)13/h3-4H2,1-2H3
InChIKeyHTYASFAYQOUDEV-UHFFFAOYSA-N
XLogP2.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-diethoxy-1,1,1,3,3,3-hexafluoropropane?
The IUPAC name of 2,2-diethoxy-1,1,1,3,3,3-hexafluoropropane (CID 18927719) is 2,2-diethoxy-1,1,1,3,3,3-hexafluoropropane.
What is the SMILES notation for 2,2-diethoxy-1,1,1,3,3,3-hexafluoropropane?
The canonical SMILES for 2,2-diethoxy-1,1,1,3,3,3-hexafluoropropane is CCOC(OCC)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2,2-diethoxy-1,1,1,3,3,3-hexafluoropropane?
The InChIKey is HTYASFAYQOUDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F6O2/c1-3-14-5(15-4-2,6(8,9)10)7(11,12)13/h3-4H2,1-2H3.
What are the key properties of 2,2-diethoxy-1,1,1,3,3,3-hexafluoropropane?
2,2-diethoxy-1,1,1,3,3,3-hexafluoropropane has a molecular weight of 240.14 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethoxy-1,1,1,3,3,3-hexafluoropropane is sourced from PubChem (CID 18927719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).