7-ethenoxy-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptane

C9H6F12O — CID 3018796

IUPAC7-ethenoxy-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptane
SMILESC=COCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C9H6F12O/c1-2-22-3-5(12,13)7(16,17)9(20,21)8(18,19)6(14,15)4(10)11/h2,4H,1,3H2
InChIKeyPSLCNUISXILWOY-UHFFFAOYSA-N
MW358.12 g/mol
LogP4.59
Rot. Bonds8

About 7-ethenoxy-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptane

7-ethenoxy-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptane (PubChem CID 3018796) has the molecular formula C9H6F12O and a molecular weight of 358.12 g/mol. Its IUPAC name is 7-ethenoxy-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptane.

Molecular Properties

Compound Name7-ethenoxy-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptane
PubChem CID3018796
Molecular FormulaC9H6F12O
Molecular Weight358.12 g/mol
Exact Mass358.02
IUPAC Name7-ethenoxy-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptane
SMILESC=COCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C9H6F12O/c1-2-22-3-5(12,13)7(16,17)9(20,21)8(18,19)6(14,15)4(10)11/h2,4H,1,3H2
InChIKeyPSLCNUISXILWOY-UHFFFAOYSA-N
XLogP4.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.12
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-ethenoxy-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptane?
The IUPAC name of 7-ethenoxy-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptane (CID 3018796) is 7-ethenoxy-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptane.
What is the SMILES notation for 7-ethenoxy-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptane?
The canonical SMILES for 7-ethenoxy-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptane is C=COCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 7-ethenoxy-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptane?
The InChIKey is PSLCNUISXILWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F12O/c1-2-22-3-5(12,13)7(16,17)9(20,21)8(18,19)6(14,15)4(10)11/h2,4H,1,3H2.
What are the key properties of 7-ethenoxy-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptane?
7-ethenoxy-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptane has a molecular weight of 358.12 g/mol, XLogP of 4.59, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethenoxy-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptane is sourced from PubChem (CID 3018796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).