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

C8F16 — CID 54539248

IUPAC1,1,1,2,2,5,5,6,6,6-decafluoro-3,4-bis(trifluoromethyl)hex-3-ene
SMILESFC(F)(F)C(=C(C(F)(F)F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8F16/c9-3(10,7(19,20)21)1(5(13,14)15)2(6(16,17)18)4(11,12)8(22,23)24
InChIKeyZBYNNTBFWDNJOQ-UHFFFAOYSA-N
MW400.06 g/mol
LogP5.80
Rot. Bonds2

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

1,1,1,2,2,5,5,6,6,6-decafluoro-3,4-bis(trifluoromethyl)hex-3-ene (PubChem CID 54539248) has the molecular formula C8F16 and a molecular weight of 400.06 g/mol. Its IUPAC name is 1,1,1,2,2,5,5,6,6,6-decafluoro-3,4-bis(trifluoromethyl)hex-3-ene.

Molecular Properties

Compound Name1,1,1,2,2,5,5,6,6,6-decafluoro-3,4-bis(trifluoromethyl)hex-3-ene
PubChem CID54539248
Molecular FormulaC8F16
Molecular Weight400.06 g/mol
Exact Mass399.97
IUPAC Name1,1,1,2,2,5,5,6,6,6-decafluoro-3,4-bis(trifluoromethyl)hex-3-ene
SMILESFC(F)(F)C(=C(C(F)(F)F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8F16/c9-3(10,7(19,20)21)1(5(13,14)15)2(6(16,17)18)4(11,12)8(22,23)24
InChIKeyZBYNNTBFWDNJOQ-UHFFFAOYSA-N
XLogP5.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.06
LogP ≤ 55.80
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 1,1,1,2,2,5,5,6,6,6-decafluoro-3,4-bis(trifluoromethyl)hex-3-ene?
The IUPAC name of 1,1,1,2,2,5,5,6,6,6-decafluoro-3,4-bis(trifluoromethyl)hex-3-ene (CID 54539248) is 1,1,1,2,2,5,5,6,6,6-decafluoro-3,4-bis(trifluoromethyl)hex-3-ene.
What is the SMILES notation for 1,1,1,2,2,5,5,6,6,6-decafluoro-3,4-bis(trifluoromethyl)hex-3-ene?
The canonical SMILES for 1,1,1,2,2,5,5,6,6,6-decafluoro-3,4-bis(trifluoromethyl)hex-3-ene is FC(F)(F)C(=C(C(F)(F)F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,5,5,6,6,6-decafluoro-3,4-bis(trifluoromethyl)hex-3-ene?
The InChIKey is ZBYNNTBFWDNJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8F16/c9-3(10,7(19,20)21)1(5(13,14)15)2(6(16,17)18)4(11,12)8(22,23)24.
What are the key properties of 1,1,1,2,2,5,5,6,6,6-decafluoro-3,4-bis(trifluoromethyl)hex-3-ene?
1,1,1,2,2,5,5,6,6,6-decafluoro-3,4-bis(trifluoromethyl)hex-3-ene has a molecular weight of 400.06 g/mol, XLogP of 5.80, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,5,5,6,6,6-decafluoro-3,4-bis(trifluoromethyl)hex-3-ene is sourced from PubChem (CID 54539248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).