1,1,1,6,6,6-hexafluoro-2,3,4,5-tetrakis(trifluoromethyl)hexa-2,4-diene

C10F18 — CID 14508573

IUPAC1,1,1,6,6,6-hexafluoro-2,3,4,5-tetrakis(trifluoromethyl)hexa-2,4-diene
SMILESFC(F)(F)C(C(=C(C(F)(F)F)C(F)(F)F)C(F)(F)F)=C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10F18/c11-5(12,13)1(3(7(17,18)19)8(20,21)22)2(6(14,15)16)4(9(23,24)25)10(26,27)28
InChIKeySVYDFHPRSIJSBD-UHFFFAOYSA-N
MW462.07 g/mol
LogP6.95
Rot. Bonds1

About 1,1,1,6,6,6-hexafluoro-2,3,4,5-tetrakis(trifluoromethyl)hexa-2,4-diene

1,1,1,6,6,6-hexafluoro-2,3,4,5-tetrakis(trifluoromethyl)hexa-2,4-diene (PubChem CID 14508573) has the molecular formula C10F18 and a molecular weight of 462.07 g/mol. Its IUPAC name is 1,1,1,6,6,6-hexafluoro-2,3,4,5-tetrakis(trifluoromethyl)hexa-2,4-diene.

Molecular Properties

Compound Name1,1,1,6,6,6-hexafluoro-2,3,4,5-tetrakis(trifluoromethyl)hexa-2,4-diene
PubChem CID14508573
Molecular FormulaC10F18
Molecular Weight462.07 g/mol
Exact Mass461.97
IUPAC Name1,1,1,6,6,6-hexafluoro-2,3,4,5-tetrakis(trifluoromethyl)hexa-2,4-diene
SMILESFC(F)(F)C(C(=C(C(F)(F)F)C(F)(F)F)C(F)(F)F)=C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10F18/c11-5(12,13)1(3(7(17,18)19)8(20,21)22)2(6(14,15)16)4(9(23,24)25)10(26,27)28
InChIKeySVYDFHPRSIJSBD-UHFFFAOYSA-N
XLogP6.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.07
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,6,6,6-hexafluoro-2,3,4,5-tetrakis(trifluoromethyl)hexa-2,4-diene?
The IUPAC name of 1,1,1,6,6,6-hexafluoro-2,3,4,5-tetrakis(trifluoromethyl)hexa-2,4-diene (CID 14508573) is 1,1,1,6,6,6-hexafluoro-2,3,4,5-tetrakis(trifluoromethyl)hexa-2,4-diene.
What is the SMILES notation for 1,1,1,6,6,6-hexafluoro-2,3,4,5-tetrakis(trifluoromethyl)hexa-2,4-diene?
The canonical SMILES for 1,1,1,6,6,6-hexafluoro-2,3,4,5-tetrakis(trifluoromethyl)hexa-2,4-diene is FC(F)(F)C(C(=C(C(F)(F)F)C(F)(F)F)C(F)(F)F)=C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,6,6,6-hexafluoro-2,3,4,5-tetrakis(trifluoromethyl)hexa-2,4-diene?
The InChIKey is SVYDFHPRSIJSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10F18/c11-5(12,13)1(3(7(17,18)19)8(20,21)22)2(6(14,15)16)4(9(23,24)25)10(26,27)28.
What are the key properties of 1,1,1,6,6,6-hexafluoro-2,3,4,5-tetrakis(trifluoromethyl)hexa-2,4-diene?
1,1,1,6,6,6-hexafluoro-2,3,4,5-tetrakis(trifluoromethyl)hexa-2,4-diene has a molecular weight of 462.07 g/mol, XLogP of 6.95, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,6,6,6-hexafluoro-2,3,4,5-tetrakis(trifluoromethyl)hexa-2,4-diene is sourced from PubChem (CID 14508573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).