1,1,1,3,3-pentafluoro-3-(fluoromethoxy)propane

C4H4F6O — CID 58114569

IUPAC1,1,1,3,3-pentafluoro-3-(fluoromethoxy)propane
SMILESFCOC(F)(F)CC(F)(F)F
InChIInChI=1S/C4H4F6O/c5-2-11-4(9,10)1-3(6,7)8/h1-2H2
InChIKeyLLYIKDBKDDOSKR-UHFFFAOYSA-N
MW182.06 g/mol
LogP2.48
Rot. Bonds3

About 1,1,1,3,3-pentafluoro-3-(fluoromethoxy)propane

1,1,1,3,3-pentafluoro-3-(fluoromethoxy)propane (PubChem CID 58114569) has the molecular formula C4H4F6O and a molecular weight of 182.06 g/mol. Its IUPAC name is 1,1,1,3,3-pentafluoro-3-(fluoromethoxy)propane.

Molecular Properties

Compound Name1,1,1,3,3-pentafluoro-3-(fluoromethoxy)propane
PubChem CID58114569
Molecular FormulaC4H4F6O
Molecular Weight182.06 g/mol
Exact Mass182.02
IUPAC Name1,1,1,3,3-pentafluoro-3-(fluoromethoxy)propane
SMILESFCOC(F)(F)CC(F)(F)F
InChIInChI=1S/C4H4F6O/c5-2-11-4(9,10)1-3(6,7)8/h1-2H2
InChIKeyLLYIKDBKDDOSKR-UHFFFAOYSA-N
XLogP2.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.06
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3-pentafluoro-3-(fluoromethoxy)propane?
The IUPAC name of 1,1,1,3,3-pentafluoro-3-(fluoromethoxy)propane (CID 58114569) is 1,1,1,3,3-pentafluoro-3-(fluoromethoxy)propane.
What is the SMILES notation for 1,1,1,3,3-pentafluoro-3-(fluoromethoxy)propane?
The canonical SMILES for 1,1,1,3,3-pentafluoro-3-(fluoromethoxy)propane is FCOC(F)(F)CC(F)(F)F.
What is the InChIKey of 1,1,1,3,3-pentafluoro-3-(fluoromethoxy)propane?
The InChIKey is LLYIKDBKDDOSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F6O/c5-2-11-4(9,10)1-3(6,7)8/h1-2H2.
What are the key properties of 1,1,1,3,3-pentafluoro-3-(fluoromethoxy)propane?
1,1,1,3,3-pentafluoro-3-(fluoromethoxy)propane has a molecular weight of 182.06 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3-pentafluoro-3-(fluoromethoxy)propane is sourced from PubChem (CID 58114569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).