1-ethenoxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane

C12H3F21O — CID 19765942

IUPAC1-ethenoxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane
SMILESC=COC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H3F21O/c1-2-34-12(32,33)10(27,28)8(23,24)6(19,20)4(15,16)3(13,14)5(17,18)7(21,22)9(25,26)11(29,30)31/h2H,1H2
InChIKeyYDCFYKVIZYKYHA-UHFFFAOYSA-N
MW562.11 g/mol
LogP7.38
Rot. Bonds10

About 1-ethenoxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane

1-ethenoxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane (PubChem CID 19765942) has the molecular formula C12H3F21O and a molecular weight of 562.11 g/mol. Its IUPAC name is 1-ethenoxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane.

Molecular Properties

Compound Name1-ethenoxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane
PubChem CID19765942
Molecular FormulaC12H3F21O
Molecular Weight562.11 g/mol
Exact Mass561.98
IUPAC Name1-ethenoxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane
SMILESC=COC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H3F21O/c1-2-34-12(32,33)10(27,28)8(23,24)6(19,20)4(15,16)3(13,14)5(17,18)7(21,22)9(25,26)11(29,30)31/h2H,1H2
InChIKeyYDCFYKVIZYKYHA-UHFFFAOYSA-N
XLogP7.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.11
LogP ≤ 57.38
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 1-ethenoxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane?
The IUPAC name of 1-ethenoxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane (CID 19765942) is 1-ethenoxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane.
What is the SMILES notation for 1-ethenoxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane?
The canonical SMILES for 1-ethenoxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane is C=COC(F)(F)C(F)(F)C(F)(F)C(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 1-ethenoxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane?
The InChIKey is YDCFYKVIZYKYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H3F21O/c1-2-34-12(32,33)10(27,28)8(23,24)6(19,20)4(15,16)3(13,14)5(17,18)7(21,22)9(25,26)11(29,30)31/h2H,1H2.
What are the key properties of 1-ethenoxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane?
1-ethenoxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane has a molecular weight of 562.11 g/mol, XLogP of 7.38, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane is sourced from PubChem (CID 19765942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).