3,3,4,4,5,5,6,6,7,7,8-undecafluoro-8-(trifluoromethyl)deca-1,9-diene

C11H6F14 — CID 10408905

IUPAC3,3,4,4,5,5,6,6,7,7,8-undecafluoro-8-(trifluoromethyl)deca-1,9-diene
SMILESC=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C=C)C(F)(F)F
InChIInChI=1S/C11H6F14/c1-3-5(12,11(23,24)25)7(15,16)9(19,20)10(21,22)8(17,18)6(13,14)4-2/h3-4H,1-2H2
InChIKeyCEZPNHJWNHQNEJ-UHFFFAOYSA-N
MW404.14 g/mol
LogP5.81
Rot. Bonds7

About 3,3,4,4,5,5,6,6,7,7,8-undecafluoro-8-(trifluoromethyl)deca-1,9-diene

3,3,4,4,5,5,6,6,7,7,8-undecafluoro-8-(trifluoromethyl)deca-1,9-diene (PubChem CID 10408905) has the molecular formula C11H6F14 and a molecular weight of 404.14 g/mol. Its IUPAC name is 3,3,4,4,5,5,6,6,7,7,8-undecafluoro-8-(trifluoromethyl)deca-1,9-diene.

Molecular Properties

Compound Name3,3,4,4,5,5,6,6,7,7,8-undecafluoro-8-(trifluoromethyl)deca-1,9-diene
PubChem CID10408905
Molecular FormulaC11H6F14
Molecular Weight404.14 g/mol
Exact Mass404.02
IUPAC Name3,3,4,4,5,5,6,6,7,7,8-undecafluoro-8-(trifluoromethyl)deca-1,9-diene
SMILESC=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C=C)C(F)(F)F
InChIInChI=1S/C11H6F14/c1-3-5(12,11(23,24)25)7(15,16)9(19,20)10(21,22)8(17,18)6(13,14)4-2/h3-4H,1-2H2
InChIKeyCEZPNHJWNHQNEJ-UHFFFAOYSA-N
XLogP5.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.14
LogP ≤ 55.81
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 3,3,4,4,5,5,6,6,7,7,8-undecafluoro-8-(trifluoromethyl)deca-1,9-diene?
The IUPAC name of 3,3,4,4,5,5,6,6,7,7,8-undecafluoro-8-(trifluoromethyl)deca-1,9-diene (CID 10408905) is 3,3,4,4,5,5,6,6,7,7,8-undecafluoro-8-(trifluoromethyl)deca-1,9-diene.
What is the SMILES notation for 3,3,4,4,5,5,6,6,7,7,8-undecafluoro-8-(trifluoromethyl)deca-1,9-diene?
The canonical SMILES for 3,3,4,4,5,5,6,6,7,7,8-undecafluoro-8-(trifluoromethyl)deca-1,9-diene is C=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C=C)C(F)(F)F.
What is the InChIKey of 3,3,4,4,5,5,6,6,7,7,8-undecafluoro-8-(trifluoromethyl)deca-1,9-diene?
The InChIKey is CEZPNHJWNHQNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F14/c1-3-5(12,11(23,24)25)7(15,16)9(19,20)10(21,22)8(17,18)6(13,14)4-2/h3-4H,1-2H2.
What are the key properties of 3,3,4,4,5,5,6,6,7,7,8-undecafluoro-8-(trifluoromethyl)deca-1,9-diene?
3,3,4,4,5,5,6,6,7,7,8-undecafluoro-8-(trifluoromethyl)deca-1,9-diene has a molecular weight of 404.14 g/mol, XLogP of 5.81, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,5,5,6,6,7,7,8-undecafluoro-8-(trifluoromethyl)deca-1,9-diene is sourced from PubChem (CID 10408905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).