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

C7H7F9O — CID 19063480

IUPAC5-ethoxy-1,1,1,2,2,3,3,4,4-nonafluoropentane
SMILESCCOCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H7F9O/c1-2-17-3-4(8,9)5(10,11)6(12,13)7(14,15)16/h2-3H2,1H3
InChIKeyCEUNLBNCHQGTAI-UHFFFAOYSA-N
MW278.11 g/mol
LogP3.49
Rot. Bonds5

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

5-ethoxy-1,1,1,2,2,3,3,4,4-nonafluoropentane (PubChem CID 19063480) has the molecular formula C7H7F9O and a molecular weight of 278.11 g/mol. Its IUPAC name is 5-ethoxy-1,1,1,2,2,3,3,4,4-nonafluoropentane.

Molecular Properties

Compound Name5-ethoxy-1,1,1,2,2,3,3,4,4-nonafluoropentane
PubChem CID19063480
Molecular FormulaC7H7F9O
Molecular Weight278.11 g/mol
Exact Mass278.04
IUPAC Name5-ethoxy-1,1,1,2,2,3,3,4,4-nonafluoropentane
SMILESCCOCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H7F9O/c1-2-17-3-4(8,9)5(10,11)6(12,13)7(14,15)16/h2-3H2,1H3
InChIKeyCEUNLBNCHQGTAI-UHFFFAOYSA-N
XLogP3.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.11
LogP ≤ 53.49
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-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
3,3,4,4,5,5-Hexafluorotetrahydro-2H-pyran
CID 129806523
Ethyl 1,1,2,3,3,3-Hexafluoropropyl Ether
CID 2775036

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-1,1,1,2,2,3,3,4,4-nonafluoropentane?
The IUPAC name of 5-ethoxy-1,1,1,2,2,3,3,4,4-nonafluoropentane (CID 19063480) is 5-ethoxy-1,1,1,2,2,3,3,4,4-nonafluoropentane.
What is the SMILES notation for 5-ethoxy-1,1,1,2,2,3,3,4,4-nonafluoropentane?
The canonical SMILES for 5-ethoxy-1,1,1,2,2,3,3,4,4-nonafluoropentane is CCOCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 5-ethoxy-1,1,1,2,2,3,3,4,4-nonafluoropentane?
The InChIKey is CEUNLBNCHQGTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F9O/c1-2-17-3-4(8,9)5(10,11)6(12,13)7(14,15)16/h2-3H2,1H3.
What are the key properties of 5-ethoxy-1,1,1,2,2,3,3,4,4-nonafluoropentane?
5-ethoxy-1,1,1,2,2,3,3,4,4-nonafluoropentane has a molecular weight of 278.11 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-1,1,1,2,2,3,3,4,4-nonafluoropentane is sourced from PubChem (CID 19063480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).