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

C8H5F13O — CID 122391796

IUPAC3-ethoxy-1,1,1,2,2,3,4,4,5,5,6,6,6-tridecafluorohexane
SMILESCCOC(F)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H5F13O/c1-2-22-6(15,5(13,14)8(19,20)21)3(9,10)4(11,12)7(16,17)18/h2H2,1H3
InChIKeyLUSBBJWZYJYBOV-UHFFFAOYSA-N
MW364.10 g/mol
LogP4.72
Rot. Bonds5

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

3-ethoxy-1,1,1,2,2,3,4,4,5,5,6,6,6-tridecafluorohexane (PubChem CID 122391796) has the molecular formula C8H5F13O and a molecular weight of 364.10 g/mol. Its IUPAC name is 3-ethoxy-1,1,1,2,2,3,4,4,5,5,6,6,6-tridecafluorohexane.

Molecular Properties

Compound Name3-ethoxy-1,1,1,2,2,3,4,4,5,5,6,6,6-tridecafluorohexane
PubChem CID122391796
Molecular FormulaC8H5F13O
Molecular Weight364.10 g/mol
Exact Mass364.01
IUPAC Name3-ethoxy-1,1,1,2,2,3,4,4,5,5,6,6,6-tridecafluorohexane
SMILESCCOC(F)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H5F13O/c1-2-22-6(15,5(13,14)8(19,20)21)3(9,10)4(11,12)7(16,17)18/h2H2,1H3
InChIKeyLUSBBJWZYJYBOV-UHFFFAOYSA-N
XLogP4.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
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
1-ethoxy-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane
CID 87277022
1-ethoxy-1,2,2,3,3,4,4,4-octafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)butane
CID 101378869
3-ethoxy-1,1,1,2,3,4,5,5,5-nonafluoro-2,4-dimethylpentane
CID 19761961
1,1,1,2,2,3,3,4,5,5,6,6,6-tridecafluoro-4-(1,1,1,2,2,3,4,4,5,5,6,6,6-tridecafluorohexan-3-yloxy)hexane
CID 13450994
2-butoxy-1,1,1,2,3,3,4,4,5,5,5-undecafluoropentane
CID 151204416
3-ethoxy-1,1,1,2,2,3,5,5,5-nonafluoropentane
CID 126575026
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
2-ethoxy-1,1,1,3,3,3-hexafluoropropan-2-amine
CID 165349343
1,1,1,2,2,3,3,5,5,5-decafluoro-4-propoxy-4-(trifluoromethyl)pentane
CID 15006619
1,1,1,2,2,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononan-3-yl tris(trifluoromethyl) silicate
CID 164522794
1-ethoxy-1,1,2,2,3,3-hexafluorobutane
CID 152519204

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1,1,1,2,2,3,4,4,5,5,6,6,6-tridecafluorohexane?
The IUPAC name of 3-ethoxy-1,1,1,2,2,3,4,4,5,5,6,6,6-tridecafluorohexane (CID 122391796) is 3-ethoxy-1,1,1,2,2,3,4,4,5,5,6,6,6-tridecafluorohexane.
What is the SMILES notation for 3-ethoxy-1,1,1,2,2,3,4,4,5,5,6,6,6-tridecafluorohexane?
The canonical SMILES for 3-ethoxy-1,1,1,2,2,3,4,4,5,5,6,6,6-tridecafluorohexane is CCOC(F)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 3-ethoxy-1,1,1,2,2,3,4,4,5,5,6,6,6-tridecafluorohexane?
The InChIKey is LUSBBJWZYJYBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F13O/c1-2-22-6(15,5(13,14)8(19,20)21)3(9,10)4(11,12)7(16,17)18/h2H2,1H3.
What are the key properties of 3-ethoxy-1,1,1,2,2,3,4,4,5,5,6,6,6-tridecafluorohexane?
3-ethoxy-1,1,1,2,2,3,4,4,5,5,6,6,6-tridecafluorohexane has a molecular weight of 364.10 g/mol, XLogP of 4.72, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1,1,1,2,2,3,4,4,5,5,6,6,6-tridecafluorohexane is sourced from PubChem (CID 122391796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).