1,1,1,5,5,6,6,6-octafluoro-2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-(1,1,2,2,2-pentafluoroethyl)-3,4-bis(trifluoromethyl)hex-2-ene

C27H35F19O9 — CID 162396599

IUPAC1,1,1,5,5,6,6,6-octafluoro-2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-(1,1,2,2,2-pentafluoroethyl)-3,4-bis(trifluoromethyl)hex-2-ene
SMILESCOCCOCCOCCOCCOCCOCCOCCOCCOC(=C(C(F)(F)F)C(C(F)(F)F)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C27H35F19O9/c1-47-2-3-48-4-5-49-6-7-50-8-9-51-10-11-52-12-13-53-14-15-54-16-17-55-19(22(31,32)33)18(21(28,29)30)20(25(38,39)40,23(34,35)26(41,42)43)24(36,37)27(44,45)46/h2-17H2,1H3
InChIKeyULNRIBLDWVQOSM-UHFFFAOYSA-N
MW864.53 g/mol
LogP7.09
Rot. Bonds28

About 1,1,1,5,5,6,6,6-octafluoro-2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-(1,1,2,2,2-pentafluoroethyl)-3,4-bis(trifluoromethyl)hex-2-ene

1,1,1,5,5,6,6,6-octafluoro-2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-(1,1,2,2,2-pentafluoroethyl)-3,4-bis(trifluoromethyl)hex-2-ene (PubChem CID 162396599) has the molecular formula C27H35F19O9 and a molecular weight of 864.53 g/mol. Its IUPAC name is 1,1,1,5,5,6,6,6-octafluoro-2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-(1,1,2,2,2-pentafluoroethyl)-3,4-bis(trifluoromethyl)hex-2-ene.

Molecular Properties

Compound Name1,1,1,5,5,6,6,6-octafluoro-2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-(1,1,2,2,2-pentafluoroethyl)-3,4-bis(trifluoromethyl)hex-2-ene
PubChem CID162396599
Molecular FormulaC27H35F19O9
Molecular Weight864.53 g/mol
Exact Mass864.20
IUPAC Name1,1,1,5,5,6,6,6-octafluoro-2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-(1,1,2,2,2-pentafluoroethyl)-3,4-bis(trifluoromethyl)hex-2-ene
SMILESCOCCOCCOCCOCCOCCOCCOCCOCCOC(=C(C(F)(F)F)C(C(F)(F)F)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C27H35F19O9/c1-47-2-3-48-4-5-49-6-7-50-8-9-51-10-11-52-12-13-53-14-15-54-16-17-55-19(22(31,32)33)18(21(28,29)30)20(25(38,39)40,23(34,35)26(41,42)43)24(36,37)27(44,45)46/h2-17H2,1H3
InChIKeyULNRIBLDWVQOSM-UHFFFAOYSA-N
XLogP7.09
TPSA83.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds28
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500864.53
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 1,1,1,5,5,6,6,6-octafluoro-2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-(1,1,2,2,2-pentafluoroethyl)-3,4-bis(trifluoromethyl)hex-2-ene with MolForge

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Related Compounds

CID 138396241
CID 138396241
CID 158387319
CID 158387319
CID 159036757
CID 159036757
CID 161195874
CID 161195874
CID 162039751
CID 162039751

Frequently Asked Questions

What is the IUPAC name of 1,1,1,5,5,6,6,6-octafluoro-2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-(1,1,2,2,2-pentafluoroethyl)-3,4-bis(trifluoromethyl)hex-2-ene?
The IUPAC name of 1,1,1,5,5,6,6,6-octafluoro-2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-(1,1,2,2,2-pentafluoroethyl)-3,4-bis(trifluoromethyl)hex-2-ene (CID 162396599) is 1,1,1,5,5,6,6,6-octafluoro-2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-(1,1,2,2,2-pentafluoroethyl)-3,4-bis(trifluoromethyl)hex-2-ene.
What is the SMILES notation for 1,1,1,5,5,6,6,6-octafluoro-2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-(1,1,2,2,2-pentafluoroethyl)-3,4-bis(trifluoromethyl)hex-2-ene?
The canonical SMILES for 1,1,1,5,5,6,6,6-octafluoro-2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-(1,1,2,2,2-pentafluoroethyl)-3,4-bis(trifluoromethyl)hex-2-ene is COCCOCCOCCOCCOCCOCCOCCOCCOC(=C(C(F)(F)F)C(C(F)(F)F)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,5,5,6,6,6-octafluoro-2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-(1,1,2,2,2-pentafluoroethyl)-3,4-bis(trifluoromethyl)hex-2-ene?
The InChIKey is ULNRIBLDWVQOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35F19O9/c1-47-2-3-48-4-5-49-6-7-50-8-9-51-10-11-52-12-13-53-14-15-54-16-17-55-19(22(31,32)33)18(21(28,29)30)20(25(38,39)40,23(34,35)26(41,42)43)24(36,37)27(44,45)46/h2-17H2,1H3.
What are the key properties of 1,1,1,5,5,6,6,6-octafluoro-2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-(1,1,2,2,2-pentafluoroethyl)-3,4-bis(trifluoromethyl)hex-2-ene?
1,1,1,5,5,6,6,6-octafluoro-2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-(1,1,2,2,2-pentafluoroethyl)-3,4-bis(trifluoromethyl)hex-2-ene has a molecular weight of 864.53 g/mol, XLogP of 7.09, 28 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,5,5,6,6,6-octafluoro-2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-(1,1,2,2,2-pentafluoroethyl)-3,4-bis(trifluoromethyl)hex-2-ene is sourced from PubChem (CID 162396599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).