1-ethoxy-1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane

C7H5F11O — CID 23432499

IUPAC1-ethoxy-1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane
SMILESCCOC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H5F11O/c1-2-19-7(17,18)5(12,13)3(8,9)4(10,11)6(14,15)16/h2H2,1H3
InChIKeyYCXOPGWIXHEAFZ-UHFFFAOYSA-N
MW314.09 g/mol
LogP4.08
Rot. Bonds5

About 1-ethoxy-1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane

1-ethoxy-1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane (PubChem CID 23432499) has the molecular formula C7H5F11O and a molecular weight of 314.09 g/mol. Its IUPAC name is 1-ethoxy-1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane.

Molecular Properties

Compound Name1-ethoxy-1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane
PubChem CID23432499
Molecular FormulaC7H5F11O
Molecular Weight314.09 g/mol
Exact Mass314.02
IUPAC Name1-ethoxy-1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane
SMILESCCOC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H5F11O/c1-2-19-7(17,18)5(12,13)3(8,9)4(10,11)6(14,15)16/h2H2,1H3
InChIKeyYCXOPGWIXHEAFZ-UHFFFAOYSA-N
XLogP4.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.09
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Ethoxynonafluorobutane
CID 206000
1,1,2,2,3,3,4,4-Octafluoro-5-(1,1,2,2-tetrafluoroethoxy)pentane
CID 2782579
n-Butyl 1,1,2,2-tetrafluoroethyl ether
CID 9659
Methyl 2H,2H-perfluorobutyl ether
CID 17914188
5-(Difluoromethoxy)-1,1,1,2,2,3,3,4,4-nonafluoropentane
CID 22436579
1,1,1,2,2,3,3,4,4-Nonafluoro-4-propoxybutane
CID 22670037
1,1,1,2,2,3,3,4,4-Nonafluoro-6-propoxyhexane
CID 44480565
1,1,1,2,2,3,3,4,4-Nonafluoro-6-(pentyloxy)hexane
CID 44480566
4-(1,1-Difluoroethoxy)-1,1,1,2,2,3,3-heptafluorobutane
CID 75360834
3,3,4,4,5,5-Hexafluorotetrahydro-2H-pyran
CID 129806523
Ethyl 1,1,2,3,3,3-Hexafluoropropyl Ether
CID 2775036
6-(1,1-Difluoroethoxy)-1,1,1,2,2,3,3,4,4,5,5-undecafluorohexane
CID 85753373

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane?
The IUPAC name of 1-ethoxy-1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane (CID 23432499) is 1-ethoxy-1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane.
What is the SMILES notation for 1-ethoxy-1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane?
The canonical SMILES for 1-ethoxy-1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane is CCOC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1-ethoxy-1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane?
The InChIKey is YCXOPGWIXHEAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F11O/c1-2-19-7(17,18)5(12,13)3(8,9)4(10,11)6(14,15)16/h2H2,1H3.
What are the key properties of 1-ethoxy-1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane?
1-ethoxy-1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane has a molecular weight of 314.09 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane is sourced from PubChem (CID 23432499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).