5-O-(2,2,3,3,3-pentafluoropropyl) 1-O-(2,2,3,3-tetrafluoropropyl) pentanedioate

C11H11F9O4 — CID 91727103

IUPAC5-O-(2,2,3,3,3-pentafluoropropyl) 1-O-(2,2,3,3-tetrafluoropropyl) pentanedioate
SMILESO=C(CCCC(=O)OCC(F)(F)C(F)(F)F)OCC(F)(F)C(F)F
InChIInChI=1S/C11H11F9O4/c12-8(13)9(14,15)4-23-6(21)2-1-3-7(22)24-5-10(16,17)11(18,19)20/h8H,1-5H2
InChIKeyICHHOTZYWAIWRA-UHFFFAOYSA-N
MW378.19 g/mol
LogP3.34
Rot. Bonds9

About 5-O-(2,2,3,3,3-pentafluoropropyl) 1-O-(2,2,3,3-tetrafluoropropyl) pentanedioate

5-O-(2,2,3,3,3-pentafluoropropyl) 1-O-(2,2,3,3-tetrafluoropropyl) pentanedioate (PubChem CID 91727103) has the molecular formula C11H11F9O4 and a molecular weight of 378.19 g/mol. Its IUPAC name is 5-O-(2,2,3,3,3-pentafluoropropyl) 1-O-(2,2,3,3-tetrafluoropropyl) pentanedioate.

Molecular Properties

Compound Name5-O-(2,2,3,3,3-pentafluoropropyl) 1-O-(2,2,3,3-tetrafluoropropyl) pentanedioate
PubChem CID91727103
Molecular FormulaC11H11F9O4
Molecular Weight378.19 g/mol
Exact Mass378.05
IUPAC Name5-O-(2,2,3,3,3-pentafluoropropyl) 1-O-(2,2,3,3-tetrafluoropropyl) pentanedioate
SMILESO=C(CCCC(=O)OCC(F)(F)C(F)(F)F)OCC(F)(F)C(F)F
InChIInChI=1S/C11H11F9O4/c12-8(13)9(14,15)4-23-6(21)2-1-3-7(22)24-5-10(16,17)11(18,19)20/h8H,1-5H2
InChIKeyICHHOTZYWAIWRA-UHFFFAOYSA-N
XLogP3.34
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.19
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-O-(8-chlorooctyl) 5-O-(2,2,3,3-tetrafluoropropyl) pentanedioate
CID 91709247
4-O-(2,2,3,3,4,4,5,5-octafluoropentyl) 1-O-(2,2,3,3-tetrafluoropropyl) butanedioate
CID 91734901
1-O-(2,2,3,4,4,4-hexafluorobutyl) 4-O-(2,2,3,3-tetrafluoropropyl) butanedioate
CID 91739714
1-O-(3-phenylpropyl) 5-O-(2,2,3,3-tetrafluoropropyl) pentanedioate
CID 91710126
1-O-(cyclohexylmethyl) 5-O-(2,2,3,3-tetrafluoropropyl) pentanedioate
CID 91700749
1-O-[(E)-hex-2-enyl] 5-O-(2,2,3,3-tetrafluoropropyl) pentanedioate
CID 91736587
1-O-hex-5-enyl 4-O-(2,2,3,3-tetrafluoropropyl) butanedioate
CID 91734867
5-O-(3,4-dimethylcyclohexyl) 1-O-(2,2,3,3-tetrafluoropropyl) pentanedioate
CID 91704563
1-O-ethyl 5-O-(2,2,3,3,4,4,5,5-octafluoropentyl) pentanedioate
CID 91742836
4-O-(2,4-dimethylpentan-3-yl) 1-O-(2,2,3,3-tetrafluoropropyl) butanedioate
CID 91734947
bis(2,2,3,3,4,4,5,5-octafluoropentyl) butanedioate
CID 22373366
2,2,3,3,4,4,5,5-octafluoropentyl 4-chlorobutanoate
CID 91740328

Frequently Asked Questions

What is the IUPAC name of 5-O-(2,2,3,3,3-pentafluoropropyl) 1-O-(2,2,3,3-tetrafluoropropyl) pentanedioate?
The IUPAC name of 5-O-(2,2,3,3,3-pentafluoropropyl) 1-O-(2,2,3,3-tetrafluoropropyl) pentanedioate (CID 91727103) is 5-O-(2,2,3,3,3-pentafluoropropyl) 1-O-(2,2,3,3-tetrafluoropropyl) pentanedioate.
What is the SMILES notation for 5-O-(2,2,3,3,3-pentafluoropropyl) 1-O-(2,2,3,3-tetrafluoropropyl) pentanedioate?
The canonical SMILES for 5-O-(2,2,3,3,3-pentafluoropropyl) 1-O-(2,2,3,3-tetrafluoropropyl) pentanedioate is O=C(CCCC(=O)OCC(F)(F)C(F)(F)F)OCC(F)(F)C(F)F.
What is the InChIKey of 5-O-(2,2,3,3,3-pentafluoropropyl) 1-O-(2,2,3,3-tetrafluoropropyl) pentanedioate?
The InChIKey is ICHHOTZYWAIWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F9O4/c12-8(13)9(14,15)4-23-6(21)2-1-3-7(22)24-5-10(16,17)11(18,19)20/h8H,1-5H2.
What are the key properties of 5-O-(2,2,3,3,3-pentafluoropropyl) 1-O-(2,2,3,3-tetrafluoropropyl) pentanedioate?
5-O-(2,2,3,3,3-pentafluoropropyl) 1-O-(2,2,3,3-tetrafluoropropyl) pentanedioate has a molecular weight of 378.19 g/mol, XLogP of 3.34, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-O-(2,2,3,3,3-pentafluoropropyl) 1-O-(2,2,3,3-tetrafluoropropyl) pentanedioate is sourced from PubChem (CID 91727103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).