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

C7H9F7O — CID 19063493

IUPAC5-ethoxy-1,1,2,3,3,4,4-heptafluoropentane
SMILESCCOCC(F)(F)C(F)(F)C(F)C(F)F
InChIInChI=1S/C7H9F7O/c1-2-15-3-6(11,12)7(13,14)4(8)5(9)10/h4-5H,2-3H2,1H3
InChIKeyZGMZQFOTNIOSPV-UHFFFAOYSA-N
MW242.13 g/mol
LogP2.90
Rot. Bonds6

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

5-ethoxy-1,1,2,3,3,4,4-heptafluoropentane (PubChem CID 19063493) has the molecular formula C7H9F7O and a molecular weight of 242.13 g/mol. Its IUPAC name is 5-ethoxy-1,1,2,3,3,4,4-heptafluoropentane.

Molecular Properties

Compound Name5-ethoxy-1,1,2,3,3,4,4-heptafluoropentane
PubChem CID19063493
Molecular FormulaC7H9F7O
Molecular Weight242.13 g/mol
Exact Mass242.05
IUPAC Name5-ethoxy-1,1,2,3,3,4,4-heptafluoropentane
SMILESCCOCC(F)(F)C(F)(F)C(F)C(F)F
InChIInChI=1S/C7H9F7O/c1-2-15-3-6(11,12)7(13,14)4(8)5(9)10/h4-5H,2-3H2,1H3
InChIKeyZGMZQFOTNIOSPV-UHFFFAOYSA-N
XLogP2.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.13
LogP ≤ 52.90
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
1,1,1,2,2,3,3,4,4-Nonafluoro-4-propoxybutane
CID 22670037
1-Ethoxy-1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane
CID 23432499
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
Propyl 1,1,2,2-tetrafluoroethyl ether
CID 22005454
6-(1,1-Difluoroethoxy)-1,1,1,2,2,3,3,4,4,5,5-undecafluorohexane
CID 85753373
(Perfluorohexyl)ethyl ether
CID 87277022
2,2,3,3,4,4,5,5-Octafluoropentyl difluoromethylether
CID 10333943

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-1,1,2,3,3,4,4-heptafluoropentane?
The IUPAC name of 5-ethoxy-1,1,2,3,3,4,4-heptafluoropentane (CID 19063493) is 5-ethoxy-1,1,2,3,3,4,4-heptafluoropentane.
What is the SMILES notation for 5-ethoxy-1,1,2,3,3,4,4-heptafluoropentane?
The canonical SMILES for 5-ethoxy-1,1,2,3,3,4,4-heptafluoropentane is CCOCC(F)(F)C(F)(F)C(F)C(F)F.
What is the InChIKey of 5-ethoxy-1,1,2,3,3,4,4-heptafluoropentane?
The InChIKey is ZGMZQFOTNIOSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F7O/c1-2-15-3-6(11,12)7(13,14)4(8)5(9)10/h4-5H,2-3H2,1H3.
What are the key properties of 5-ethoxy-1,1,2,3,3,4,4-heptafluoropentane?
5-ethoxy-1,1,2,3,3,4,4-heptafluoropentane has a molecular weight of 242.13 g/mol, XLogP of 2.90, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-1,1,2,3,3,4,4-heptafluoropentane is sourced from PubChem (CID 19063493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).