3-ethenyl-3,4,4,5,5,6,6,7,7,8,8,8-dodecafluorooct-1-ene

C10H6F12 — CID 18755105

IUPAC3-ethenyl-3,4,4,5,5,6,6,7,7,8,8,8-dodecafluorooct-1-ene
SMILESC=CC(F)(C=C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H6F12/c1-3-5(11,4-2)6(12,13)7(14,15)8(16,17)9(18,19)10(20,21)22/h3-4H,1-2H2
InChIKeyBJXWZNKCYRQOJF-UHFFFAOYSA-N
MW354.13 g/mol
LogP5.17
Rot. Bonds6

About 3-ethenyl-3,4,4,5,5,6,6,7,7,8,8,8-dodecafluorooct-1-ene

3-ethenyl-3,4,4,5,5,6,6,7,7,8,8,8-dodecafluorooct-1-ene (PubChem CID 18755105) has the molecular formula C10H6F12 and a molecular weight of 354.13 g/mol. Its IUPAC name is 3-ethenyl-3,4,4,5,5,6,6,7,7,8,8,8-dodecafluorooct-1-ene.

Molecular Properties

Compound Name3-ethenyl-3,4,4,5,5,6,6,7,7,8,8,8-dodecafluorooct-1-ene
PubChem CID18755105
Molecular FormulaC10H6F12
Molecular Weight354.13 g/mol
Exact Mass354.03
IUPAC Name3-ethenyl-3,4,4,5,5,6,6,7,7,8,8,8-dodecafluorooct-1-ene
SMILESC=CC(F)(C=C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H6F12/c1-3-5(11,4-2)6(12,13)7(14,15)8(16,17)9(18,19)10(20,21)22/h3-4H,1-2H2
InChIKeyBJXWZNKCYRQOJF-UHFFFAOYSA-N
XLogP5.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.13
LogP ≤ 55.17
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'}

Analyze 3-ethenyl-3,4,4,5,5,6,6,7,7,8,8,8-dodecafluorooct-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-3,4,4,5,5,6,6,7,7,8,8,8-dodecafluorooct-1-ene?
The IUPAC name of 3-ethenyl-3,4,4,5,5,6,6,7,7,8,8,8-dodecafluorooct-1-ene (CID 18755105) is 3-ethenyl-3,4,4,5,5,6,6,7,7,8,8,8-dodecafluorooct-1-ene.
What is the SMILES notation for 3-ethenyl-3,4,4,5,5,6,6,7,7,8,8,8-dodecafluorooct-1-ene?
The canonical SMILES for 3-ethenyl-3,4,4,5,5,6,6,7,7,8,8,8-dodecafluorooct-1-ene is C=CC(F)(C=C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 3-ethenyl-3,4,4,5,5,6,6,7,7,8,8,8-dodecafluorooct-1-ene?
The InChIKey is BJXWZNKCYRQOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F12/c1-3-5(11,4-2)6(12,13)7(14,15)8(16,17)9(18,19)10(20,21)22/h3-4H,1-2H2.
What are the key properties of 3-ethenyl-3,4,4,5,5,6,6,7,7,8,8,8-dodecafluorooct-1-ene?
3-ethenyl-3,4,4,5,5,6,6,7,7,8,8,8-dodecafluorooct-1-ene has a molecular weight of 354.13 g/mol, XLogP of 5.17, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-3,4,4,5,5,6,6,7,7,8,8,8-dodecafluorooct-1-ene is sourced from PubChem (CID 18755105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).