6-ethoxy-1,1,1,2,2,3,3,4,4-nonafluorohexane

C8H9F9O — CID 54330931

IUPAC6-ethoxy-1,1,1,2,2,3,3,4,4-nonafluorohexane
SMILESCCOCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H9F9O/c1-2-18-4-3-5(9,10)6(11,12)7(13,14)8(15,16)17/h2-4H2,1H3
InChIKeyBQRRKOJRSSSHTG-UHFFFAOYSA-N
MW292.14 g/mol
LogP3.88
Rot. Bonds6

About 6-ethoxy-1,1,1,2,2,3,3,4,4-nonafluorohexane

6-ethoxy-1,1,1,2,2,3,3,4,4-nonafluorohexane (PubChem CID 54330931) has the molecular formula C8H9F9O and a molecular weight of 292.14 g/mol. Its IUPAC name is 6-ethoxy-1,1,1,2,2,3,3,4,4-nonafluorohexane.

Molecular Properties

Compound Name6-ethoxy-1,1,1,2,2,3,3,4,4-nonafluorohexane
PubChem CID54330931
Molecular FormulaC8H9F9O
Molecular Weight292.14 g/mol
Exact Mass292.05
IUPAC Name6-ethoxy-1,1,1,2,2,3,3,4,4-nonafluorohexane
SMILESCCOCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H9F9O/c1-2-18-4-3-5(9,10)6(11,12)7(13,14)8(15,16)17/h2-4H2,1H3
InChIKeyBQRRKOJRSSSHTG-UHFFFAOYSA-N
XLogP3.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.14
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Ethyl perfluorooctyl ether
CID 87277037
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
1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8-propoxyoctane
CID 44480567
1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8-(pentyloxy)octane
CID 44480568
Ether, octyl 1,1,2,2-tetrafluoroethyl
CID 35451
6-(1,1-Difluoroethoxy)-1,1,1,2,2,3,3,4,4,5,5-undecafluorohexane
CID 85753373
Ethyl perfluoroheptyl ether
CID 9909702
(Perfluorohexyl)ethyl ether
CID 87277022
2-n-Hexyloxyperfluoropropene
CID 85958891
Decafluoro-di-n-pentylether
CID 11688646

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-1,1,1,2,2,3,3,4,4-nonafluorohexane?
The IUPAC name of 6-ethoxy-1,1,1,2,2,3,3,4,4-nonafluorohexane (CID 54330931) is 6-ethoxy-1,1,1,2,2,3,3,4,4-nonafluorohexane.
What is the SMILES notation for 6-ethoxy-1,1,1,2,2,3,3,4,4-nonafluorohexane?
The canonical SMILES for 6-ethoxy-1,1,1,2,2,3,3,4,4-nonafluorohexane is CCOCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 6-ethoxy-1,1,1,2,2,3,3,4,4-nonafluorohexane?
The InChIKey is BQRRKOJRSSSHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F9O/c1-2-18-4-3-5(9,10)6(11,12)7(13,14)8(15,16)17/h2-4H2,1H3.
What are the key properties of 6-ethoxy-1,1,1,2,2,3,3,4,4-nonafluorohexane?
6-ethoxy-1,1,1,2,2,3,3,4,4-nonafluorohexane has a molecular weight of 292.14 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-1,1,1,2,2,3,3,4,4-nonafluorohexane is sourced from PubChem (CID 54330931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).