2-(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)ethanol

C8H9F9O2 — CID 59378527

IUPAC2-(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)ethanol
SMILESOCCOCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H9F9O2/c9-5(10,1-3-19-4-2-18)6(11,12)7(13,14)8(15,16)17/h18H,1-4H2
InChIKeyINSNDRBNHLKUKX-UHFFFAOYSA-N
MW308.14 g/mol
LogP2.85
Rot. Bonds7

About 2-(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)ethanol

2-(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)ethanol (PubChem CID 59378527) has the molecular formula C8H9F9O2 and a molecular weight of 308.14 g/mol. Its IUPAC name is 2-(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)ethanol.

Molecular Properties

Compound Name2-(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)ethanol
PubChem CID59378527
Molecular FormulaC8H9F9O2
Molecular Weight308.14 g/mol
Exact Mass308.05
IUPAC Name2-(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)ethanol
SMILESOCCOCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H9F9O2/c9-5(10,1-3-19-4-2-18)6(11,12)7(13,14)8(15,16)17/h18H,1-4H2
InChIKeyINSNDRBNHLKUKX-UHFFFAOYSA-N
XLogP2.85
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.14
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

1,1,1-Trifluoro-3-hexyloxypropan-2-ol
CID 11042106
2-[(3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl)oxy]ethan-1-ol
CID 14433681
2-[2-(2,2,3,3,4,4,4-Heptafluorobutoxy)ethoxy]ethan-1-ol
CID 14963557
2-[(2,2,3,3,4,4,5,5,6,6,7,7,7-Tridecafluoroheptyl)oxy]ethan-1-ol
CID 23262451
2-[(2,2,3,3,4,4,5,5,6,6,6-Undecafluorohexyl)oxy]ethan-1-ol
CID 53753225
1,3-Bis[(3,3,4,4,5,5,6,6,6-nonafluorohexyl)oxy]propan-2-ol
CID 85800698
6-(2,2,3,3,4,4,4-Heptafluorobutoxy)hexan-1-ol
CID 117636354
16,16,17,17,18,18,19,19,20,20,21,21,22,22,22-Pentadecafluoro-3,6,9,12,15-pentaoxadocosan-1-ol
CID 138396356
1-Ethoxy-3,3,4,4,5,5,6,6,6-nonafluorohexan-2-ol
CID 13204822
3-[(3,3,4,4,5,5,6,6,6-Nonafluorohexyl)oxy]propane-1,2-diol
CID 23026186
2-(2-(2-(Perfluorohexyl)ethoxy)ethoxy)ethanol
CID 101887008
8-(Perfluorotetradecyl)-3,6-dioxaoctanol
CID 162396467

Frequently Asked Questions

What is the IUPAC name of 2-(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)ethanol?
The IUPAC name of 2-(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)ethanol (CID 59378527) is 2-(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)ethanol.
What is the SMILES notation for 2-(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)ethanol?
The canonical SMILES for 2-(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)ethanol is OCCOCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)ethanol?
The InChIKey is INSNDRBNHLKUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F9O2/c9-5(10,1-3-19-4-2-18)6(11,12)7(13,14)8(15,16)17/h18H,1-4H2.
What are the key properties of 2-(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)ethanol?
2-(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)ethanol has a molecular weight of 308.14 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)ethanol is sourced from PubChem (CID 59378527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).