1,1,1,2,3,3,4,4-octafluoropentane

C5H4F8 — CID 12829393

IUPAC1,1,1,2,3,3,4,4-octafluoropentane
SMILESCC(F)(F)C(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C5H4F8/c1-3(7,8)4(9,10)2(6)5(11,12)13/h2H,1H3
InChIKeyCEMQYFWMYIULFK-UHFFFAOYSA-N
MW216.07 g/mol
LogP3.18
Rot. Bonds2

About 1,1,1,2,3,3,4,4-octafluoropentane

1,1,1,2,3,3,4,4-octafluoropentane (PubChem CID 12829393) has the molecular formula C5H4F8 and a molecular weight of 216.07 g/mol. Its IUPAC name is 1,1,1,2,3,3,4,4-octafluoropentane.

Molecular Properties

Compound Name1,1,1,2,3,3,4,4-octafluoropentane
PubChem CID12829393
Molecular FormulaC5H4F8
Molecular Weight216.07 g/mol
Exact Mass216.02
IUPAC Name1,1,1,2,3,3,4,4-octafluoropentane
SMILESCC(F)(F)C(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C5H4F8/c1-3(7,8)4(9,10)2(6)5(11,12)13/h2H,1H3
InChIKeyCEMQYFWMYIULFK-UHFFFAOYSA-N
XLogP3.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.07
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3,3,4,5,5,5-hexafluoro-2-methylpentan-2-ol
CID 13442056
3,4,4,4-tetrafluoro-2,2-dimethylbutanenitrile
CID 105433992
1,1,1,2,2-pentafluoroethane iodide
CID 157061199
3,3,4,4-tetrafluoropentan-2-ol
CID 162564921
2,2,3,4,4,4-hexafluorobutan-1-ol
CID 533990
1,1,1,2,3,3,4,4,5,7,7,7-dodecafluoroheptane
CID 175358537
1,1,2,2,3,3,4,4,5,5,6,7,7,7-tetradecafluoroheptan-1-amine
CID 175166868
(2S)-1-bromo-1,1,2,3,3,3-hexafluoropropane
CID 95036254
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-octadecafluorodecane
CID 22735005
1,1,1,2,3,3-hexafluoro-3-(trifluoromethylperoxy)propane
CID 150967738
3,3,4,5,5,5-hexafluoropentan-2-ol
CID 2775019
potassium 1,1,2,2,3,4,4,4-octafluorobutane-1-sulfonate
CID 141492476

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,3,3,4,4-octafluoropentane?
The IUPAC name of 1,1,1,2,3,3,4,4-octafluoropentane (CID 12829393) is 1,1,1,2,3,3,4,4-octafluoropentane.
What is the SMILES notation for 1,1,1,2,3,3,4,4-octafluoropentane?
The canonical SMILES for 1,1,1,2,3,3,4,4-octafluoropentane is CC(F)(F)C(F)(F)C(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,3,3,4,4-octafluoropentane?
The InChIKey is CEMQYFWMYIULFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F8/c1-3(7,8)4(9,10)2(6)5(11,12)13/h2H,1H3.
What are the key properties of 1,1,1,2,3,3,4,4-octafluoropentane?
1,1,1,2,3,3,4,4-octafluoropentane has a molecular weight of 216.07 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,3,4,4-octafluoropentane is sourced from PubChem (CID 12829393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).