2,2,3,3,4,4,5,5-octafluoropentyl 2,2,3,3,4,4,5,5-octafluoropentanoate

C10H4F16O2 — CID 134871742

IUPAC2,2,3,3,4,4,5,5-octafluoropentyl 2,2,3,3,4,4,5,5-octafluoropentanoate
SMILESO=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C10H4F16O2/c11-2(12)6(17,18)9(23,24)5(15,16)1-28-4(27)8(21,22)10(25,26)7(19,20)3(13)14/h2-3H,1H2
InChIKeyASGPRBBUWSNFMT-UHFFFAOYSA-N
MW460.11 g/mol
LogP4.87
Rot. Bonds9

About 2,2,3,3,4,4,5,5-octafluoropentyl 2,2,3,3,4,4,5,5-octafluoropentanoate

2,2,3,3,4,4,5,5-octafluoropentyl 2,2,3,3,4,4,5,5-octafluoropentanoate (PubChem CID 134871742) has the molecular formula C10H4F16O2 and a molecular weight of 460.11 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5-octafluoropentyl 2,2,3,3,4,4,5,5-octafluoropentanoate.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5-octafluoropentyl 2,2,3,3,4,4,5,5-octafluoropentanoate
PubChem CID134871742
Molecular FormulaC10H4F16O2
Molecular Weight460.11 g/mol
Exact Mass460.00
IUPAC Name2,2,3,3,4,4,5,5-octafluoropentyl 2,2,3,3,4,4,5,5-octafluoropentanoate
SMILESO=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C10H4F16O2/c11-2(12)6(17,18)9(23,24)5(15,16)1-28-4(27)8(21,22)10(25,26)7(19,20)3(13)14/h2-3H,1H2
InChIKeyASGPRBBUWSNFMT-UHFFFAOYSA-N
XLogP4.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.11
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2,2,3,3,4,4,5,5-octafluoropentyl 2,2,3,3,4,4,5,5-octafluoropentanoate?
The IUPAC name of 2,2,3,3,4,4,5,5-octafluoropentyl 2,2,3,3,4,4,5,5-octafluoropentanoate (CID 134871742) is 2,2,3,3,4,4,5,5-octafluoropentyl 2,2,3,3,4,4,5,5-octafluoropentanoate.
What is the SMILES notation for 2,2,3,3,4,4,5,5-octafluoropentyl 2,2,3,3,4,4,5,5-octafluoropentanoate?
The canonical SMILES for 2,2,3,3,4,4,5,5-octafluoropentyl 2,2,3,3,4,4,5,5-octafluoropentanoate is O=C(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,5-octafluoropentyl 2,2,3,3,4,4,5,5-octafluoropentanoate?
The InChIKey is ASGPRBBUWSNFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4F16O2/c11-2(12)6(17,18)9(23,24)5(15,16)1-28-4(27)8(21,22)10(25,26)7(19,20)3(13)14/h2-3H,1H2.
What are the key properties of 2,2,3,3,4,4,5,5-octafluoropentyl 2,2,3,3,4,4,5,5-octafluoropentanoate?
2,2,3,3,4,4,5,5-octafluoropentyl 2,2,3,3,4,4,5,5-octafluoropentanoate has a molecular weight of 460.11 g/mol, XLogP of 4.87, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5-octafluoropentyl 2,2,3,3,4,4,5,5-octafluoropentanoate is sourced from PubChem (CID 134871742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).