2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-octacosafluoropentadec-1-ene

C15H2F28 — CID 162345377

IUPAC2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-octacosafluoropentadec-1-ene
SMILESC=C(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)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H2F28/c1-2(16)3(17,18)4(19,20)5(21,22)6(23,24)7(25,26)8(27,28)9(29,30)10(31,32)11(33,34)12(35,36)13(37,38)14(39,40)15(41,42)43/h1H2
InChIKeyORRADWOAITXXMO-UHFFFAOYSA-N
MW714.12 g/mol
LogP9.66
Rot. Bonds12

About 2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-octacosafluoropentadec-1-ene

2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-octacosafluoropentadec-1-ene (PubChem CID 162345377) has the molecular formula C15H2F28 and a molecular weight of 714.12 g/mol. Its IUPAC name is 2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-octacosafluoropentadec-1-ene.

Molecular Properties

Compound Name2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-octacosafluoropentadec-1-ene
PubChem CID162345377
Molecular FormulaC15H2F28
Molecular Weight714.12 g/mol
Exact Mass713.97
IUPAC Name2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-octacosafluoropentadec-1-ene
SMILESC=C(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)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H2F28/c1-2(16)3(17,18)4(19,20)5(21,22)6(23,24)7(25,26)8(27,28)9(29,30)10(31,32)11(33,34)12(35,36)13(37,38)14(39,40)15(41,42)43/h1H2
InChIKeyORRADWOAITXXMO-UHFFFAOYSA-N
XLogP9.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.12
LogP ≤ 59.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-octacosafluoropentadec-1-ene with MolForge

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Related Compounds

1H,1H,2H-Perfluoro-1-decene
CID 88990
(Perfluorohexyl)ethylene
CID 91384
Dodecafluoro-1,9-decadiene
CID 102163
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-Henicosafluorododecene
CID 121692
Perfluorodecene
CID 2782403
(Perfluoroheptyl)ethene
CID 117482
1,8-Divinylperfluorooctane
CID 2737145
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-Pentacosafluorotetradec-1-ene
CID 2782411
1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-Tetracosafluorododec-1-ene
CID 14246820
Perfluoronon-1-ene
CID 3081944
1H-Perfluoro-1-heptene
CID 11647677
1,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooct-1-ene
CID 12824723

Frequently Asked Questions

What is the IUPAC name of 2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-octacosafluoropentadec-1-ene?
The IUPAC name of 2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-octacosafluoropentadec-1-ene (CID 162345377) is 2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-octacosafluoropentadec-1-ene.
What is the SMILES notation for 2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-octacosafluoropentadec-1-ene?
The canonical SMILES for 2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-octacosafluoropentadec-1-ene is C=C(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)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-octacosafluoropentadec-1-ene?
The InChIKey is ORRADWOAITXXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H2F28/c1-2(16)3(17,18)4(19,20)5(21,22)6(23,24)7(25,26)8(27,28)9(29,30)10(31,32)11(33,34)12(35,36)13(37,38)14(39,40)15(41,42)43/h1H2.
What are the key properties of 2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-octacosafluoropentadec-1-ene?
2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-octacosafluoropentadec-1-ene has a molecular weight of 714.12 g/mol, XLogP of 9.66, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-octacosafluoropentadec-1-ene is sourced from PubChem (CID 162345377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).