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

C5H4F8O2 — CID 20609480

IUPAC1,1,1,3,3,3-hexafluoro-2,2-bis(fluoromethoxy)propane
SMILESFCOC(OCF)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H4F8O2/c6-1-14-3(15-2-7,4(8,9)10)5(11,12)13/h1-2H2
InChIKeyRWGIVYBHUVQBRL-UHFFFAOYSA-N
MW248.07 g/mol
LogP2.69
Rot. Bonds4

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

1,1,1,3,3,3-hexafluoro-2,2-bis(fluoromethoxy)propane (PubChem CID 20609480) has the molecular formula C5H4F8O2 and a molecular weight of 248.07 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2,2-bis(fluoromethoxy)propane.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2,2-bis(fluoromethoxy)propane
PubChem CID20609480
Molecular FormulaC5H4F8O2
Molecular Weight248.07 g/mol
Exact Mass248.01
IUPAC Name1,1,1,3,3,3-hexafluoro-2,2-bis(fluoromethoxy)propane
SMILESFCOC(OCF)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H4F8O2/c6-1-14-3(15-2-7,4(8,9)10)5(11,12)13/h1-2H2
InChIKeyRWGIVYBHUVQBRL-UHFFFAOYSA-N
XLogP2.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.07
LogP ≤ 52.69
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 1,1,1,3,3,3-hexafluoro-2,2-bis(fluoromethoxy)propane?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2,2-bis(fluoromethoxy)propane (CID 20609480) is 1,1,1,3,3,3-hexafluoro-2,2-bis(fluoromethoxy)propane.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2,2-bis(fluoromethoxy)propane?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2,2-bis(fluoromethoxy)propane is FCOC(OCF)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2,2-bis(fluoromethoxy)propane?
The InChIKey is RWGIVYBHUVQBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F8O2/c6-1-14-3(15-2-7,4(8,9)10)5(11,12)13/h1-2H2.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2,2-bis(fluoromethoxy)propane?
1,1,1,3,3,3-hexafluoro-2,2-bis(fluoromethoxy)propane has a molecular weight of 248.07 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2,2-bis(fluoromethoxy)propane is sourced from PubChem (CID 20609480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).