9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16-hexadecafluorohexacosane

C26H38F16 — CID 89419205

IUPAC9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16-hexadecafluorohexacosane
SMILESCCCCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCCCCCC
InChIInChI=1S/C26H38F16/c1-3-5-7-9-11-12-14-16-18-20(29,30)22(33,34)24(37,38)26(41,42)25(39,40)23(35,36)21(31,32)19(27,28)17-15-13-10-8-6-4-2/h3-18H2,1-2H3
InChIKeyJSEMLQFOOJEQFP-UHFFFAOYSA-N
MW654.56 g/mol
LogP12.35
Rot. Bonds23

About 9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16-hexadecafluorohexacosane

9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16-hexadecafluorohexacosane (PubChem CID 89419205) has the molecular formula C26H38F16 and a molecular weight of 654.56 g/mol. Its IUPAC name is 9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16-hexadecafluorohexacosane.

Molecular Properties

Compound Name9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16-hexadecafluorohexacosane
PubChem CID89419205
Molecular FormulaC26H38F16
Molecular Weight654.56 g/mol
Exact Mass654.27
IUPAC Name9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16-hexadecafluorohexacosane
SMILESCCCCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCCCCCC
InChIInChI=1S/C26H38F16/c1-3-5-7-9-11-12-14-16-18-20(29,30)22(33,34)24(37,38)26(41,42)25(39,40)23(35,36)21(31,32)19(27,28)17-15-13-10-8-6-4-2/h3-18H2,1-2H3
InChIKeyJSEMLQFOOJEQFP-UHFFFAOYSA-N
XLogP12.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds23
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.56
LogP ≤ 512.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluorooctacosane
CID 99647814
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluorotridecane
CID 15266676
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluoroicosane
CID 22404665
1,1,1,2,2,3,3,4,4,5,5-undecafluoroundecane
CID 98452289
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodotriacontane
CID 138394291
3,3,4,4,5,5,6,6-octafluorotridecane
CID 121404861
5,5,6,6,7,7,8,8,9,9,10,10-dodecafluoroheptadecan-1-ol
CID 121403452
1,1,1,2,2,3,3-heptafluoroicosane
CID 98452405
9,9,10,10,11,11,12,12,13,13,14,14-dodecafluorooctadecan-1-ol
CID 121403458
2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorotridecanal
CID 11015174
4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-hexadecafluoroicos-1-ene
CID 89419210
1,2,2,3,3,4,4-heptafluorononane-1,1-diol
CID 152701783

Frequently Asked Questions

What is the IUPAC name of 9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16-hexadecafluorohexacosane?
The IUPAC name of 9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16-hexadecafluorohexacosane (CID 89419205) is 9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16-hexadecafluorohexacosane.
What is the SMILES notation for 9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16-hexadecafluorohexacosane?
The canonical SMILES for 9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16-hexadecafluorohexacosane is CCCCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCCCCCC.
What is the InChIKey of 9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16-hexadecafluorohexacosane?
The InChIKey is JSEMLQFOOJEQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38F16/c1-3-5-7-9-11-12-14-16-18-20(29,30)22(33,34)24(37,38)26(41,42)25(39,40)23(35,36)21(31,32)19(27,28)17-15-13-10-8-6-4-2/h3-18H2,1-2H3.
What are the key properties of 9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16-hexadecafluorohexacosane?
9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16-hexadecafluorohexacosane has a molecular weight of 654.56 g/mol, XLogP of 12.35, 23 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16-hexadecafluorohexacosane is sourced from PubChem (CID 89419205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).