1-ethoxy-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane

C8H5F13O — CID 87277022

IUPAC1-ethoxy-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane
SMILESCCOC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H5F13O/c1-2-22-8(20,21)6(15,16)4(11,12)3(9,10)5(13,14)7(17,18)19/h2H2,1H3
InChIKeyKKOZACSVPTWBIT-UHFFFAOYSA-N
MW364.10 g/mol
LogP4.72
Rot. Bonds6

About 1-ethoxy-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane

1-ethoxy-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane (PubChem CID 87277022) has the molecular formula C8H5F13O and a molecular weight of 364.10 g/mol. Its IUPAC name is 1-ethoxy-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane.

Molecular Properties

Compound Name1-ethoxy-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane
PubChem CID87277022
Molecular FormulaC8H5F13O
Molecular Weight364.10 g/mol
Exact Mass364.01
IUPAC Name1-ethoxy-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane
SMILESCCOC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H5F13O/c1-2-22-8(20,21)6(15,16)4(11,12)3(9,10)5(13,14)7(17,18)19/h2H2,1H3
InChIKeyKKOZACSVPTWBIT-UHFFFAOYSA-N
XLogP4.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.10
LogP ≤ 54.72
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

1-ethoxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentacosafluorododecane
CID 91447807
2-[difluoro(methoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane;1-ethoxy-1,1,2,2,3,3,4,4,4-nonafluorobutane
CID 87992619
3-ethoxy-1,1,1,2,2,3,4,4,5,5,6,6,6-tridecafluorohexane
CID 122391796
1-ethoxy-1,1,2,2,3,3-hexafluorobutane
CID 152519204
1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptoxy)octane
CID 71328605
1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-(2-methylpropoxy)hexane
CID 19797730
triethoxy-[3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctoxy)propyl]silane
CID 71410842
1-but-2-enoxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane
CID 87792375
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,22,22,23,23,24,24,25,25,26,26,27,27,28,28,29,29,30,30,31,31-trihexacontafluorotritriacontane
CID 175957898
ethoxy-oxo-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexoxy)phosphanium
CID 122507209
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluoro-10-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecoxy)decane
CID 18625066
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-7-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptylperoxy)heptane
CID 139654060

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane?
The IUPAC name of 1-ethoxy-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane (CID 87277022) is 1-ethoxy-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane.
What is the SMILES notation for 1-ethoxy-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane?
The canonical SMILES for 1-ethoxy-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane is CCOC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1-ethoxy-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane?
The InChIKey is KKOZACSVPTWBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F13O/c1-2-22-8(20,21)6(15,16)4(11,12)3(9,10)5(13,14)7(17,18)19/h2H2,1H3.
What are the key properties of 1-ethoxy-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane?
1-ethoxy-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane has a molecular weight of 364.10 g/mol, XLogP of 4.72, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane is sourced from PubChem (CID 87277022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).