7-(difluoromethyl)-1,1,7,8,8,8-hexafluoro-2-(trifluoromethyl)oct-1-ene

C10H9F11 — CID 91718992

IUPAC7-(difluoromethyl)-1,1,7,8,8,8-hexafluoro-2-(trifluoromethyl)oct-1-ene
SMILESFC(F)=C(CCCCC(F)(C(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H9F11/c11-6(12)5(9(16,17)18)3-1-2-4-8(15,7(13)14)10(19,20)21/h7H,1-4H2
InChIKeyXUDHUKPJVMIJFO-UHFFFAOYSA-N
MW338.16 g/mol
LogP5.80
Rot. Bonds6

About 7-(difluoromethyl)-1,1,7,8,8,8-hexafluoro-2-(trifluoromethyl)oct-1-ene

7-(difluoromethyl)-1,1,7,8,8,8-hexafluoro-2-(trifluoromethyl)oct-1-ene (PubChem CID 91718992) has the molecular formula C10H9F11 and a molecular weight of 338.16 g/mol. Its IUPAC name is 7-(difluoromethyl)-1,1,7,8,8,8-hexafluoro-2-(trifluoromethyl)oct-1-ene.

Molecular Properties

Compound Name7-(difluoromethyl)-1,1,7,8,8,8-hexafluoro-2-(trifluoromethyl)oct-1-ene
PubChem CID91718992
Molecular FormulaC10H9F11
Molecular Weight338.16 g/mol
Exact Mass338.05
IUPAC Name7-(difluoromethyl)-1,1,7,8,8,8-hexafluoro-2-(trifluoromethyl)oct-1-ene
SMILESFC(F)=C(CCCCC(F)(C(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H9F11/c11-6(12)5(9(16,17)18)3-1-2-4-8(15,7(13)14)10(19,20)21/h7H,1-4H2
InChIKeyXUDHUKPJVMIJFO-UHFFFAOYSA-N
XLogP5.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.16
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-1,1,7,8,8,8-hexafluoro-2-(trifluoromethyl)oct-1-ene?
The IUPAC name of 7-(difluoromethyl)-1,1,7,8,8,8-hexafluoro-2-(trifluoromethyl)oct-1-ene (CID 91718992) is 7-(difluoromethyl)-1,1,7,8,8,8-hexafluoro-2-(trifluoromethyl)oct-1-ene.
What is the SMILES notation for 7-(difluoromethyl)-1,1,7,8,8,8-hexafluoro-2-(trifluoromethyl)oct-1-ene?
The canonical SMILES for 7-(difluoromethyl)-1,1,7,8,8,8-hexafluoro-2-(trifluoromethyl)oct-1-ene is FC(F)=C(CCCCC(F)(C(F)F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 7-(difluoromethyl)-1,1,7,8,8,8-hexafluoro-2-(trifluoromethyl)oct-1-ene?
The InChIKey is XUDHUKPJVMIJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F11/c11-6(12)5(9(16,17)18)3-1-2-4-8(15,7(13)14)10(19,20)21/h7H,1-4H2.
What are the key properties of 7-(difluoromethyl)-1,1,7,8,8,8-hexafluoro-2-(trifluoromethyl)oct-1-ene?
7-(difluoromethyl)-1,1,7,8,8,8-hexafluoro-2-(trifluoromethyl)oct-1-ene has a molecular weight of 338.16 g/mol, XLogP of 5.80, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-1,1,7,8,8,8-hexafluoro-2-(trifluoromethyl)oct-1-ene is sourced from PubChem (CID 91718992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).