1,1,1,2,2,3,3,4,4,5,5,6,6,10,10,11,11,12,12,13,13,14,14,15,15,15-hexacosafluoro-8-prop-2-enylpentadecane

C18H10F26 — CID 162538604

IUPAC1,1,1,2,2,3,3,4,4,5,5,6,6,10,10,11,11,12,12,13,13,14,14,15,15,15-hexacosafluoro-8-prop-2-enylpentadecane
SMILESC=CCC(CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C18H10F26/c1-2-3-6(4-7(19,20)9(23,24)11(27,28)13(31,32)15(35,36)17(39,40)41)5-8(21,22)10(25,26)12(29,30)14(33,34)16(37,38)18(42,43)44/h2,6H,1,3-5H2
InChIKeyPEGMHWQMDXHDOX-UHFFFAOYSA-N
MW720.23 g/mol
LogP10.44
Rot. Bonds14

About 1,1,1,2,2,3,3,4,4,5,5,6,6,10,10,11,11,12,12,13,13,14,14,15,15,15-hexacosafluoro-8-prop-2-enylpentadecane

1,1,1,2,2,3,3,4,4,5,5,6,6,10,10,11,11,12,12,13,13,14,14,15,15,15-hexacosafluoro-8-prop-2-enylpentadecane (PubChem CID 162538604) has the molecular formula C18H10F26 and a molecular weight of 720.23 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,4,4,5,5,6,6,10,10,11,11,12,12,13,13,14,14,15,15,15-hexacosafluoro-8-prop-2-enylpentadecane.

Molecular Properties

Compound Name1,1,1,2,2,3,3,4,4,5,5,6,6,10,10,11,11,12,12,13,13,14,14,15,15,15-hexacosafluoro-8-prop-2-enylpentadecane
PubChem CID162538604
Molecular FormulaC18H10F26
Molecular Weight720.23 g/mol
Exact Mass720.04
IUPAC Name1,1,1,2,2,3,3,4,4,5,5,6,6,10,10,11,11,12,12,13,13,14,14,15,15,15-hexacosafluoro-8-prop-2-enylpentadecane
SMILESC=CCC(CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C18H10F26/c1-2-3-6(4-7(19,20)9(23,24)11(27,28)13(31,32)15(35,36)17(39,40)41)5-8(21,22)10(25,26)12(29,30)14(33,34)16(37,38)18(42,43)44/h2,6H,1,3-5H2
InChIKeyPEGMHWQMDXHDOX-UHFFFAOYSA-N
XLogP10.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.23
LogP ≤ 510.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,1,1,2,2,3,3,4,4,5,5,6,6,10,10,11,11,12,12,13,13,14,14,15,15,15-hexacosafluoro-8-prop-2-enylpentadecane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,3,4,4,5,5,6,6,10,10,11,11,12,12,13,13,14,14,15,15,15-hexacosafluoro-8-prop-2-enylpentadecane?
The IUPAC name of 1,1,1,2,2,3,3,4,4,5,5,6,6,10,10,11,11,12,12,13,13,14,14,15,15,15-hexacosafluoro-8-prop-2-enylpentadecane (CID 162538604) is 1,1,1,2,2,3,3,4,4,5,5,6,6,10,10,11,11,12,12,13,13,14,14,15,15,15-hexacosafluoro-8-prop-2-enylpentadecane.
What is the SMILES notation for 1,1,1,2,2,3,3,4,4,5,5,6,6,10,10,11,11,12,12,13,13,14,14,15,15,15-hexacosafluoro-8-prop-2-enylpentadecane?
The canonical SMILES for 1,1,1,2,2,3,3,4,4,5,5,6,6,10,10,11,11,12,12,13,13,14,14,15,15,15-hexacosafluoro-8-prop-2-enylpentadecane is C=CCC(CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,3,4,4,5,5,6,6,10,10,11,11,12,12,13,13,14,14,15,15,15-hexacosafluoro-8-prop-2-enylpentadecane?
The InChIKey is PEGMHWQMDXHDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F26/c1-2-3-6(4-7(19,20)9(23,24)11(27,28)13(31,32)15(35,36)17(39,40)41)5-8(21,22)10(25,26)12(29,30)14(33,34)16(37,38)18(42,43)44/h2,6H,1,3-5H2.
What are the key properties of 1,1,1,2,2,3,3,4,4,5,5,6,6,10,10,11,11,12,12,13,13,14,14,15,15,15-hexacosafluoro-8-prop-2-enylpentadecane?
1,1,1,2,2,3,3,4,4,5,5,6,6,10,10,11,11,12,12,13,13,14,14,15,15,15-hexacosafluoro-8-prop-2-enylpentadecane has a molecular weight of 720.23 g/mol, XLogP of 10.44, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3,4,4,5,5,6,6,10,10,11,11,12,12,13,13,14,14,15,15,15-hexacosafluoro-8-prop-2-enylpentadecane is sourced from PubChem (CID 162538604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).