3-ethenyl-3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-hexadecafluorodec-1-ene

C12H6F16 — CID 87838923

IUPAC3-ethenyl-3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-hexadecafluorodec-1-ene
SMILESC=CC(F)(C=C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H6F16/c1-3-5(13,4-2)6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)12(26,27)28/h3-4H,1-2H2
InChIKeyHPYILZKZQYVLLM-UHFFFAOYSA-N
MW454.15 g/mol
LogP6.44
Rot. Bonds8

About 3-ethenyl-3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-hexadecafluorodec-1-ene

3-ethenyl-3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-hexadecafluorodec-1-ene (PubChem CID 87838923) has the molecular formula C12H6F16 and a molecular weight of 454.15 g/mol. Its IUPAC name is 3-ethenyl-3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-hexadecafluorodec-1-ene.

Molecular Properties

Compound Name3-ethenyl-3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-hexadecafluorodec-1-ene
PubChem CID87838923
Molecular FormulaC12H6F16
Molecular Weight454.15 g/mol
Exact Mass454.02
IUPAC Name3-ethenyl-3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-hexadecafluorodec-1-ene
SMILESC=CC(F)(C=C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H6F16/c1-3-5(13,4-2)6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)12(26,27)28/h3-4H,1-2H2
InChIKeyHPYILZKZQYVLLM-UHFFFAOYSA-N
XLogP6.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.15
LogP ≤ 56.44
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-ethenyl-3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-hexadecafluorodec-1-ene?
The IUPAC name of 3-ethenyl-3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-hexadecafluorodec-1-ene (CID 87838923) is 3-ethenyl-3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-hexadecafluorodec-1-ene.
What is the SMILES notation for 3-ethenyl-3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-hexadecafluorodec-1-ene?
The canonical SMILES for 3-ethenyl-3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-hexadecafluorodec-1-ene is C=CC(F)(C=C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 3-ethenyl-3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-hexadecafluorodec-1-ene?
The InChIKey is HPYILZKZQYVLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F16/c1-3-5(13,4-2)6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)12(26,27)28/h3-4H,1-2H2.
What are the key properties of 3-ethenyl-3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-hexadecafluorodec-1-ene?
3-ethenyl-3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-hexadecafluorodec-1-ene has a molecular weight of 454.15 g/mol, XLogP of 6.44, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-hexadecafluorodec-1-ene is sourced from PubChem (CID 87838923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).