7-(1,1-difluoroethyl)-6,7,8,8,9,10,10,11,12-nonafluoro-9-(1-fluorohexa-1,2,3,4,5-pentaenyl)-11-methylheptadeca-1,2,3,4,5,12,13,14,15,16-decaene

C26H12F12 — CID 122436044

About 7-(1,1-difluoroethyl)-6,7,8,8,9,10,10,11,12-nonafluoro-9-(1-fluorohexa-1,2,3,4,5-pentaenyl)-11-methylheptadeca-1,2,3,4,5,12,13,14,15,16-decaene

7-(1,1-difluoroethyl)-6,7,8,8,9,10,10,11,12-nonafluoro-9-(1-fluorohexa-1,2,3,4,5-pentaenyl)-11-methylheptadeca-1,2,3,4,5,12,13,14,15,16-decaene (PubChem CID 122436044) has the molecular formula C26H12F12 and a molecular weight of 552.36 g/mol. Its IUPAC name is 7-(1,1-difluoroethyl)-6,7,8,8,9,10,10,11,12-nonafluoro-9-(1-fluorohexa-1,2,3,4,5-pentaenyl)-11-methylheptadeca-1,2,3,4,5,12,13,14,15,16-decaene.

Molecular Properties

• Compound Name: 7-(1,1-difluoroethyl)-6,7,8,8,9,10,10,11,12-nonafluoro-9-(1-fluorohexa-1,2,3,4,5-pentaenyl)-11-methylheptadeca-1,2,3,4,5,12,13,14,15,16-decaene
• PubChem CID: 122436044
• Molecular Formula: C26H12F12
• Molecular Weight: 552.36 g/mol
• Exact Mass: 552.07
• IUPAC Name: 7-(1,1-difluoroethyl)-6,7,8,8,9,10,10,11,12-nonafluoro-9-(1-fluorohexa-1,2,3,4,5-pentaenyl)-11-methylheptadeca-1,2,3,4,5,12,13,14,15,16-decaene
• SMILES: C=C=C=C=C=C(F)C(C)(F)C(F)(F)C(F)(C(F)=C=C=C=C=C)C(F)(F)C(F)(C(F)=C=C=C=C=C)C(C)(F)F
• InChI: InChI=1S/C26H12F12/c1-6-9-12-15-18(27)21(4,30)25(35,36)24(34,20(29)17-14-11-8-3)26(37,38)23(33,22(5,31)32)19(28)16-13-10-7-2/h1-3H2,4-5H3
• InChIKey: IOJXWXXOQXIFQN-UHFFFAOYSA-N
• XLogP: 8.37
• TPSA: 0.00 Ų
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	552.36
LogP ≤ 5	8.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of 7-(1,1-difluoroethyl)-6,7,8,8,9,10,10,11,12-nonafluoro-9-(1-fluorohexa-1,2,3,4,5-pentaenyl)-11-methylheptadeca-1,2,3,4,5,12,13,14,15,16-decaene?

The IUPAC name of 7-(1,1-difluoroethyl)-6,7,8,8,9,10,10,11,12-nonafluoro-9-(1-fluorohexa-1,2,3,4,5-pentaenyl)-11-methylheptadeca-1,2,3,4,5,12,13,14,15,16-decaene (CID 122436044) is 7-(1,1-difluoroethyl)-6,7,8,8,9,10,10,11,12-nonafluoro-9-(1-fluorohexa-1,2,3,4,5-pentaenyl)-11-methylheptadeca-1,2,3,4,5,12,13,14,15,16-decaene.

What is the SMILES notation for 7-(1,1-difluoroethyl)-6,7,8,8,9,10,10,11,12-nonafluoro-9-(1-fluorohexa-1,2,3,4,5-pentaenyl)-11-methylheptadeca-1,2,3,4,5,12,13,14,15,16-decaene?

The canonical SMILES for 7-(1,1-difluoroethyl)-6,7,8,8,9,10,10,11,12-nonafluoro-9-(1-fluorohexa-1,2,3,4,5-pentaenyl)-11-methylheptadeca-1,2,3,4,5,12,13,14,15,16-decaene is C=C=C=C=C=C(F)C(C)(F)C(F)(F)C(F)(C(F)=C=C=C=C=C)C(F)(F)C(F)(C(F)=C=C=C=C=C)C(C)(F)F.

What is the InChIKey of 7-(1,1-difluoroethyl)-6,7,8,8,9,10,10,11,12-nonafluoro-9-(1-fluorohexa-1,2,3,4,5-pentaenyl)-11-methylheptadeca-1,2,3,4,5,12,13,14,15,16-decaene?

The InChIKey is IOJXWXXOQXIFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H12F12/c1-6-9-12-15-18(27)21(4,30)25(35,36)24(34,20(29)17-14-11-8-3)26(37,38)23(33,22(5,31)32)19(28)16-13-10-7-2/h1-3H2,4-5H3.

What are the key properties of 7-(1,1-difluoroethyl)-6,7,8,8,9,10,10,11,12-nonafluoro-9-(1-fluorohexa-1,2,3,4,5-pentaenyl)-11-methylheptadeca-1,2,3,4,5,12,13,14,15,16-decaene?

7-(1,1-difluoroethyl)-6,7,8,8,9,10,10,11,12-nonafluoro-9-(1-fluorohexa-1,2,3,4,5-pentaenyl)-11-methylheptadeca-1,2,3,4,5,12,13,14,15,16-decaene has a molecular weight of 552.36 g/mol, XLogP of 8.37, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(1,1-difluoroethyl)-6,7,8,8,9,10,10,11,12-nonafluoro-9-(1-fluorohexa-1,2,3,4,5-pentaenyl)-11-methylheptadeca-1,2,3,4,5,12,13,14,15,16-decaene is sourced from PubChem (CID 122436044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).