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

C8H6F12O — CID 87472295

IUPAC1-ethoxy-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexane
SMILESCCOC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C8H6F12O/c1-2-21-8(19,20)7(17,18)6(15,16)5(13,14)4(11,12)3(9)10/h3H,2H2,1H3
InChIKeyQATOPTOEEDPADE-UHFFFAOYSA-N
MW346.11 g/mol
LogP4.42
Rot. Bonds7

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

1-ethoxy-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexane (PubChem CID 87472295) has the molecular formula C8H6F12O and a molecular weight of 346.11 g/mol. Its IUPAC name is 1-ethoxy-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexane.

Molecular Properties

Compound Name1-ethoxy-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexane
PubChem CID87472295
Molecular FormulaC8H6F12O
Molecular Weight346.11 g/mol
Exact Mass346.02
IUPAC Name1-ethoxy-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexane
SMILESCCOC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C8H6F12O/c1-2-21-8(19,20)7(17,18)6(15,16)5(13,14)4(11,12)3(9)10/h3H,2H2,1H3
InChIKeyQATOPTOEEDPADE-UHFFFAOYSA-N
XLogP4.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.11
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexane?
The IUPAC name of 1-ethoxy-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexane (CID 87472295) is 1-ethoxy-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexane.
What is the SMILES notation for 1-ethoxy-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexane?
The canonical SMILES for 1-ethoxy-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexane is CCOC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 1-ethoxy-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexane?
The InChIKey is QATOPTOEEDPADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F12O/c1-2-21-8(19,20)7(17,18)6(15,16)5(13,14)4(11,12)3(9)10/h3H,2H2,1H3.
What are the key properties of 1-ethoxy-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexane?
1-ethoxy-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexane has a molecular weight of 346.11 g/mol, XLogP of 4.42, 7 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-dodecafluorohexane is sourced from PubChem (CID 87472295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).