6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoro-4-[(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-prop-1-enylnon-2-enoxy)methyl]undeca-2,4-diene

C24H16F26O — CID 139761694

IUPAC6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoro-4-[(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-prop-1-enylnon-2-enoxy)methyl]undeca-2,4-diene
SMILESCC=CC(=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)COCC(C=CC)=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C24H16F26O/c1-3-5-11(7-13(25,26)15(29,30)17(33,34)19(37,38)21(41,42)23(45,46)47)9-51-10-12(6-4-2)8-14(27,28)16(31,32)18(35,36)20(39,40)22(43,44)24(48,49)50/h3-8H,9-10H2,1-2H3
InChIKeyBIWRYBAATHATJF-UHFFFAOYSA-N
MW814.34 g/mol
LogP11.49
Rot. Bonds16

About 6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoro-4-[(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-prop-1-enylnon-2-enoxy)methyl]undeca-2,4-diene

6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoro-4-[(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-prop-1-enylnon-2-enoxy)methyl]undeca-2,4-diene (PubChem CID 139761694) has the molecular formula C24H16F26O and a molecular weight of 814.34 g/mol. Its IUPAC name is 6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoro-4-[(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-prop-1-enylnon-2-enoxy)methyl]undeca-2,4-diene.

Molecular Properties

Compound Name6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoro-4-[(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-prop-1-enylnon-2-enoxy)methyl]undeca-2,4-diene
PubChem CID139761694
Molecular FormulaC24H16F26O
Molecular Weight814.34 g/mol
Exact Mass814.08
IUPAC Name6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoro-4-[(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-prop-1-enylnon-2-enoxy)methyl]undeca-2,4-diene
SMILESCC=CC(=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)COCC(C=CC)=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C24H16F26O/c1-3-5-11(7-13(25,26)15(29,30)17(33,34)19(37,38)21(41,42)23(45,46)47)9-51-10-12(6-4-2)8-14(27,28)16(31,32)18(35,36)20(39,40)22(43,44)24(48,49)50/h3-8H,9-10H2,1-2H3
InChIKeyBIWRYBAATHATJF-UHFFFAOYSA-N
XLogP11.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500814.34
LogP ≤ 511.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoro-4-[(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-prop-1-enylnon-2-enoxy)methyl]undeca-2,4-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6E)-2,7-dimethyl-8-(2,2,2-trifluoroethoxy)octa-1,6-diene
CID 121015260
4-[(1E)-1-fluoro-3-[(2Z,4Z)-1,1,3-trifluoro-2,5-dimethylhepta-2,4,6-trienoxy]buta-1,3-dienyl]-2-(trifluoromethyl)-3,6-dihydro-2H-pyran
CID 89259538
(3Z,5Z)-7-(1,1-difluoroethoxy)-4-ethylhepta-1,3,5-triene
CID 89381334
1-Ethoxy-3-ethyl-4,4,5,5,6,6,6-heptafluorohex-2-ene
CID 91564501
3-Ethyl-4,4,5,5,6,6,6-heptafluoro-1-propoxyhex-2-ene
CID 91807489
(3E)-4-methyl-2-(2,2,2-trifluoroethoxy)octa-1,3-diene
CID 121464247
3-Methyl-1-(2,2,2-trifluoroethoxy)undec-2-ene
CID 124020296
5-Methyl-6-methylidene-4,7-bis(trifluoromethoxymethyl)nona-2,4,7-triene
CID 124024739
6,6,7,7,8,8,9,9,9-Nonafluoro-4-[(4,4,5,5,6,6,7,7,7-nonafluoro-2-prop-1-enylhept-2-enoxy)methyl]nona-2,4-diene
CID 139761691
6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-Heptadecafluoro-4-[(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-2-prop-1-enylundec-2-enoxy)methyl]trideca-2,4-diene
CID 139761693
(3E)-4-[ethoxy(difluoro)methyl]-6-methylhepta-1,3,5-triene
CID 142382018
(5Z,9Z,13Z)-5,6,13,14-tetrafluoro-4,7,8,11,12,15-hexamethylidene-16-propoxyheptadeca-1,5,9,13-tetraene
CID 143772360

Frequently Asked Questions

What is the IUPAC name of 6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoro-4-[(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-prop-1-enylnon-2-enoxy)methyl]undeca-2,4-diene?
The IUPAC name of 6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoro-4-[(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-prop-1-enylnon-2-enoxy)methyl]undeca-2,4-diene (CID 139761694) is 6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoro-4-[(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-prop-1-enylnon-2-enoxy)methyl]undeca-2,4-diene.
What is the SMILES notation for 6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoro-4-[(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-prop-1-enylnon-2-enoxy)methyl]undeca-2,4-diene?
The canonical SMILES for 6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoro-4-[(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-prop-1-enylnon-2-enoxy)methyl]undeca-2,4-diene is CC=CC(=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)COCC(C=CC)=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoro-4-[(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-prop-1-enylnon-2-enoxy)methyl]undeca-2,4-diene?
The InChIKey is BIWRYBAATHATJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F26O/c1-3-5-11(7-13(25,26)15(29,30)17(33,34)19(37,38)21(41,42)23(45,46)47)9-51-10-12(6-4-2)8-14(27,28)16(31,32)18(35,36)20(39,40)22(43,44)24(48,49)50/h3-8H,9-10H2,1-2H3.
What are the key properties of 6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoro-4-[(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-prop-1-enylnon-2-enoxy)methyl]undeca-2,4-diene?
6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoro-4-[(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-prop-1-enylnon-2-enoxy)methyl]undeca-2,4-diene has a molecular weight of 814.34 g/mol, XLogP of 11.49, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoro-4-[(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-prop-1-enylnon-2-enoxy)methyl]undeca-2,4-diene is sourced from PubChem (CID 139761694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).