2-ethoxy-1,1,1,3,3,3-hexafluoro-2-(fluoromethoxy)propane

C6H7F7O2 — CID 20725475

IUPAC2-ethoxy-1,1,1,3,3,3-hexafluoro-2-(fluoromethoxy)propane
SMILESCCOC(OCF)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H7F7O2/c1-2-14-4(15-3-7,5(8,9)10)6(11,12)13/h2-3H2,1H3
InChIKeyNOPRQODXROVRPK-UHFFFAOYSA-N
MW244.11 g/mol
LogP2.79
Rot. Bonds4

About 2-ethoxy-1,1,1,3,3,3-hexafluoro-2-(fluoromethoxy)propane

2-ethoxy-1,1,1,3,3,3-hexafluoro-2-(fluoromethoxy)propane (PubChem CID 20725475) has the molecular formula C6H7F7O2 and a molecular weight of 244.11 g/mol. Its IUPAC name is 2-ethoxy-1,1,1,3,3,3-hexafluoro-2-(fluoromethoxy)propane.

Molecular Properties

Compound Name2-ethoxy-1,1,1,3,3,3-hexafluoro-2-(fluoromethoxy)propane
PubChem CID20725475
Molecular FormulaC6H7F7O2
Molecular Weight244.11 g/mol
Exact Mass244.03
IUPAC Name2-ethoxy-1,1,1,3,3,3-hexafluoro-2-(fluoromethoxy)propane
SMILESCCOC(OCF)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H7F7O2/c1-2-14-4(15-3-7,5(8,9)10)6(11,12)13/h2-3H2,1H3
InChIKeyNOPRQODXROVRPK-UHFFFAOYSA-N
XLogP2.79
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.11
LogP ≤ 52.79
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-ethoxy-1,1,1,3,3,3-hexafluoro-2-(fluoromethoxy)propane?
The IUPAC name of 2-ethoxy-1,1,1,3,3,3-hexafluoro-2-(fluoromethoxy)propane (CID 20725475) is 2-ethoxy-1,1,1,3,3,3-hexafluoro-2-(fluoromethoxy)propane.
What is the SMILES notation for 2-ethoxy-1,1,1,3,3,3-hexafluoro-2-(fluoromethoxy)propane?
The canonical SMILES for 2-ethoxy-1,1,1,3,3,3-hexafluoro-2-(fluoromethoxy)propane is CCOC(OCF)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-ethoxy-1,1,1,3,3,3-hexafluoro-2-(fluoromethoxy)propane?
The InChIKey is NOPRQODXROVRPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F7O2/c1-2-14-4(15-3-7,5(8,9)10)6(11,12)13/h2-3H2,1H3.
What are the key properties of 2-ethoxy-1,1,1,3,3,3-hexafluoro-2-(fluoromethoxy)propane?
2-ethoxy-1,1,1,3,3,3-hexafluoro-2-(fluoromethoxy)propane has a molecular weight of 244.11 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1,1,1,3,3,3-hexafluoro-2-(fluoromethoxy)propane is sourced from PubChem (CID 20725475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).