1,1,2,2,3,3,4,4-octafluoro-5-(1,1,2,2-tetrafluoroethoxy)pentane

C7H4F12O — CID 2782579

IUPAC1,1,2,2,3,3,4,4-octafluoro-5-(1,1,2,2-tetrafluoroethoxy)pentane
SMILESFC(F)C(F)(F)OCC(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C7H4F12O/c8-2(9)5(14,15)7(18,19)4(12,13)1-20-6(16,17)3(10)11/h2-3H,1H2
InChIKeyZNBGTBKGFZMWKR-UHFFFAOYSA-N
MW332.08 g/mol
LogP4.03
Rot. Bonds7

About 1,1,2,2,3,3,4,4-octafluoro-5-(1,1,2,2-tetrafluoroethoxy)pentane

1,1,2,2,3,3,4,4-octafluoro-5-(1,1,2,2-tetrafluoroethoxy)pentane (PubChem CID 2782579) has the molecular formula C7H4F12O and a molecular weight of 332.08 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4-octafluoro-5-(1,1,2,2-tetrafluoroethoxy)pentane.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4-octafluoro-5-(1,1,2,2-tetrafluoroethoxy)pentane
PubChem CID2782579
Molecular FormulaC7H4F12O
Molecular Weight332.08 g/mol
Exact Mass332.01
IUPAC Name1,1,2,2,3,3,4,4-octafluoro-5-(1,1,2,2-tetrafluoroethoxy)pentane
SMILESFC(F)C(F)(F)OCC(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C7H4F12O/c8-2(9)5(14,15)7(18,19)4(12,13)1-20-6(16,17)3(10)11/h2-3H,1H2
InChIKeyZNBGTBKGFZMWKR-UHFFFAOYSA-N
XLogP4.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.08
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4-octafluoro-5-(1,1,2,2-tetrafluoroethoxy)pentane?
The IUPAC name of 1,1,2,2,3,3,4,4-octafluoro-5-(1,1,2,2-tetrafluoroethoxy)pentane (CID 2782579) is 1,1,2,2,3,3,4,4-octafluoro-5-(1,1,2,2-tetrafluoroethoxy)pentane.
What is the SMILES notation for 1,1,2,2,3,3,4,4-octafluoro-5-(1,1,2,2-tetrafluoroethoxy)pentane?
The canonical SMILES for 1,1,2,2,3,3,4,4-octafluoro-5-(1,1,2,2-tetrafluoroethoxy)pentane is FC(F)C(F)(F)OCC(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 1,1,2,2,3,3,4,4-octafluoro-5-(1,1,2,2-tetrafluoroethoxy)pentane?
The InChIKey is ZNBGTBKGFZMWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F12O/c8-2(9)5(14,15)7(18,19)4(12,13)1-20-6(16,17)3(10)11/h2-3H,1H2.
What are the key properties of 1,1,2,2,3,3,4,4-octafluoro-5-(1,1,2,2-tetrafluoroethoxy)pentane?
1,1,2,2,3,3,4,4-octafluoro-5-(1,1,2,2-tetrafluoroethoxy)pentane has a molecular weight of 332.08 g/mol, XLogP of 4.03, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4-octafluoro-5-(1,1,2,2-tetrafluoroethoxy)pentane is sourced from PubChem (CID 2782579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).