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

C10HF19 — CID 54277418

IUPAC1,1,1,5,5,6,6,6-octafluoro-4-(1,1,2,2,2-pentafluoroethyl)-3,4-bis(trifluoromethyl)hex-2-ene
SMILESFC(F)(F)C=C(C(F)(F)F)C(C(F)(F)F)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10HF19/c11-3(12,13)1-2(5(14,15)16)4(8(21,22)23,6(17,18)9(24,25)26)7(19,20)10(27,28)29/h1H
InChIKeyQZFVVYLUJGLRIK-UHFFFAOYSA-N
MW482.08 g/mol
LogP6.98
Rot. Bonds3

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

1,1,1,5,5,6,6,6-octafluoro-4-(1,1,2,2,2-pentafluoroethyl)-3,4-bis(trifluoromethyl)hex-2-ene (PubChem CID 54277418) has the molecular formula C10HF19 and a molecular weight of 482.08 g/mol. Its IUPAC name is 1,1,1,5,5,6,6,6-octafluoro-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-4-(1,1,2,2,2-pentafluoroethyl)-3,4-bis(trifluoromethyl)hex-2-ene
PubChem CID54277418
Molecular FormulaC10HF19
Molecular Weight482.08 g/mol
Exact Mass481.98
IUPAC Name1,1,1,5,5,6,6,6-octafluoro-4-(1,1,2,2,2-pentafluoroethyl)-3,4-bis(trifluoromethyl)hex-2-ene
SMILESFC(F)(F)C=C(C(F)(F)F)C(C(F)(F)F)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10HF19/c11-3(12,13)1-2(5(14,15)16)4(8(21,22)23,6(17,18)9(24,25)26)7(19,20)10(27,28)29/h1H
InChIKeyQZFVVYLUJGLRIK-UHFFFAOYSA-N
XLogP6.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.08
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,5,5,6,6,6-octafluoro-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-4-(1,1,2,2,2-pentafluoroethyl)-3,4-bis(trifluoromethyl)hex-2-ene (CID 54277418) is 1,1,1,5,5,6,6,6-octafluoro-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-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-4-(1,1,2,2,2-pentafluoroethyl)-3,4-bis(trifluoromethyl)hex-2-ene is FC(F)(F)C=C(C(F)(F)F)C(C(F)(F)F)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,5,5,6,6,6-octafluoro-4-(1,1,2,2,2-pentafluoroethyl)-3,4-bis(trifluoromethyl)hex-2-ene?
The InChIKey is QZFVVYLUJGLRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10HF19/c11-3(12,13)1-2(5(14,15)16)4(8(21,22)23,6(17,18)9(24,25)26)7(19,20)10(27,28)29/h1H.
What are the key properties of 1,1,1,5,5,6,6,6-octafluoro-4-(1,1,2,2,2-pentafluoroethyl)-3,4-bis(trifluoromethyl)hex-2-ene?
1,1,1,5,5,6,6,6-octafluoro-4-(1,1,2,2,2-pentafluoroethyl)-3,4-bis(trifluoromethyl)hex-2-ene has a molecular weight of 482.08 g/mol, XLogP of 6.98, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,5,5,6,6,6-octafluoro-4-(1,1,2,2,2-pentafluoroethyl)-3,4-bis(trifluoromethyl)hex-2-ene is sourced from PubChem (CID 54277418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).