1,1,1,2,2,5,5,5-octafluoropentane

C5H4F8 — CID 22457046

IUPAC1,1,1,2,2,5,5,5-octafluoropentane
SMILESFC(F)(F)CCC(F)(F)C(F)(F)F
InChIInChI=1S/C5H4F8/c6-3(7,5(11,12)13)1-2-4(8,9)10/h1-2H2
InChIKeyCQMGZGWJLDSUNG-UHFFFAOYSA-N
MW216.07 g/mol
LogP3.53
Rot. Bonds2

About 1,1,1,2,2,5,5,5-octafluoropentane

1,1,1,2,2,5,5,5-octafluoropentane (PubChem CID 22457046) has the molecular formula C5H4F8 and a molecular weight of 216.07 g/mol. Its IUPAC name is 1,1,1,2,2,5,5,5-octafluoropentane.

Molecular Properties

Compound Name1,1,1,2,2,5,5,5-octafluoropentane
PubChem CID22457046
Molecular FormulaC5H4F8
Molecular Weight216.07 g/mol
Exact Mass216.02
IUPAC Name1,1,1,2,2,5,5,5-octafluoropentane
SMILESFC(F)(F)CCC(F)(F)C(F)(F)F
InChIInChI=1S/C5H4F8/c6-3(7,5(11,12)13)1-2-4(8,9)10/h1-2H2
InChIKeyCQMGZGWJLDSUNG-UHFFFAOYSA-N
XLogP3.53
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 ≤ 53.53
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

1,1,1,2,2,5,5,6,6,9,9,10,10,10-tetradecafluorodecane
CID 607523
1-bromo-1,1,2,2,5,5,5-heptafluoropentane
CID 154324929
3,3,4,4,7,7,8,8,11,11,12,12,12-tridecafluorododecan-1-ol
CID 87061527
methyl-(3,3,4,4,4-pentafluorobutyl)-tris(3,3,3-trifluoropropyl)-λ5-phosphane
CID 90212328
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,18,18,18-tritriacontafluorooctadecan-1-ol
CID 88632833
dichloro-(1,1,2,2,5,5,5-heptafluoropentyl)-methylsilane
CID 88685115
(E)-1,1,1,7,7,8,8,8-octafluorooct-3-ene
CID 90213776
dichloro-bis(1,1,2,2,3,3,6,6,6-nonafluorohexyl)silane
CID 53431090
1,1,1,2,2,3-hexafluoropropane;1,1,1,2-tetrafluoroethane
CID 22481284
dimethyl(3,3,4,4,4-pentafluorobutyl)silane
CID 172840662
ethane;1,1,1,2,2-pentafluorohexane
CID 167481670
sodium 4,4,5,5,5-pentafluoropentane-1-thiolate
CID 59109811

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,5,5,5-octafluoropentane?
The IUPAC name of 1,1,1,2,2,5,5,5-octafluoropentane (CID 22457046) is 1,1,1,2,2,5,5,5-octafluoropentane.
What is the SMILES notation for 1,1,1,2,2,5,5,5-octafluoropentane?
The canonical SMILES for 1,1,1,2,2,5,5,5-octafluoropentane is FC(F)(F)CCC(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,5,5,5-octafluoropentane?
The InChIKey is CQMGZGWJLDSUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F8/c6-3(7,5(11,12)13)1-2-4(8,9)10/h1-2H2.
What are the key properties of 1,1,1,2,2,5,5,5-octafluoropentane?
1,1,1,2,2,5,5,5-octafluoropentane has a molecular weight of 216.07 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,5,5,5-octafluoropentane is sourced from PubChem (CID 22457046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).