8-ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluorooctane;methoxyethene

C16H17F15O3 — CID 91486381

IUPAC8-ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluorooctane;methoxyethene
SMILESC=COC.C=COC.C=COCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H5F15O.2C3H6O/c1-2-26-3-4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)25;2*1-3-4-2/h2H,1,3H2;2*3H,1H2,2H3
InChIKeySMTHRWRWXGDGHG-UHFFFAOYSA-N
MW542.28 g/mol
LogP7.07
Rot. Bonds10

About 8-ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluorooctane;methoxyethene

8-ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluorooctane;methoxyethene (PubChem CID 91486381) has the molecular formula C16H17F15O3 and a molecular weight of 542.28 g/mol. Its IUPAC name is 8-ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluorooctane;methoxyethene.

Molecular Properties

Compound Name8-ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluorooctane;methoxyethene
PubChem CID91486381
Molecular FormulaC16H17F15O3
Molecular Weight542.28 g/mol
Exact Mass542.09
IUPAC Name8-ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluorooctane;methoxyethene
SMILESC=COC.C=COC.C=COCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H5F15O.2C3H6O/c1-2-26-3-4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)25;2*1-3-4-2/h2H,1,3H2;2*3H,1H2,2H3
InChIKeySMTHRWRWXGDGHG-UHFFFAOYSA-N
XLogP7.07
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.28
LogP ≤ 57.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 8-ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluorooctane;methoxyethene with MolForge

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Related Compounds

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CID 3018246
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CID 3024059
11-Ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,21-tetratriacontafluorohenicosane
CID 10328523
1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-Heptadecafluoro-1-[2-[2-(1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-heptadecafluorononoxy)ethenoxy]ethenoxy]nonane
CID 78411284
1-[(E)-2,3,3,3-tetrafluoroprop-1-enoxy]dodecane
CID 121408633
1-[(E)-2-fluoroethenoxy]dodecane
CID 121408637
1,1-Difluoro-2-dodecyloxyethene
CID 121408638
8-(Ethenyloxy)-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorooctane
CID 14433679
8,8,8-Trifluorooctylhexaoxyethylene
CID 129664688
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecylvinyl ether
CID 19101877
10-Ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,10,10-icosafluorodecane
CID 19765940
8-Ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7-tetradecafluorooctane
CID 21981711

Frequently Asked Questions

What is the IUPAC name of 8-ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluorooctane;methoxyethene?
The IUPAC name of 8-ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluorooctane;methoxyethene (CID 91486381) is 8-ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluorooctane;methoxyethene.
What is the SMILES notation for 8-ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluorooctane;methoxyethene?
The canonical SMILES for 8-ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluorooctane;methoxyethene is C=COC.C=COC.C=COCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 8-ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluorooctane;methoxyethene?
The InChIKey is SMTHRWRWXGDGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F15O.2C3H6O/c1-2-26-3-4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)25;2*1-3-4-2/h2H,1,3H2;2*3H,1H2,2H3.
What are the key properties of 8-ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluorooctane;methoxyethene?
8-ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluorooctane;methoxyethene has a molecular weight of 542.28 g/mol, XLogP of 7.07, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluorooctane;methoxyethene is sourced from PubChem (CID 91486381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).