(E)-1,1,1,2,2,3,3,6,6,7,7,8,8,8-tetradecafluorooct-4-ene

C8H2F14 — CID 12751148

IUPAC(E)-1,1,1,2,2,3,3,6,6,7,7,8,8,8-tetradecafluorooct-4-ene
SMILESFC(F)(F)C(F)(F)C(F)(F)/C=C/C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H2F14/c9-3(10,5(13,14)7(17,18)19)1-2-4(11,12)6(15,16)8(20,21)22/h1-2H/b2-1+
InChIKeyNIJFGUAYRFPTBD-OWOJBTEDSA-N
MW364.08 g/mol
LogP5.21
Rot. Bonds4

About (E)-1,1,1,2,2,3,3,6,6,7,7,8,8,8-tetradecafluorooct-4-ene

(E)-1,1,1,2,2,3,3,6,6,7,7,8,8,8-tetradecafluorooct-4-ene (PubChem CID 12751148) has the molecular formula C8H2F14 and a molecular weight of 364.08 g/mol. Its IUPAC name is (E)-1,1,1,2,2,3,3,6,6,7,7,8,8,8-tetradecafluorooct-4-ene.

Molecular Properties

Compound Name(E)-1,1,1,2,2,3,3,6,6,7,7,8,8,8-tetradecafluorooct-4-ene
PubChem CID12751148
Molecular FormulaC8H2F14
Molecular Weight364.08 g/mol
Exact Mass363.99
IUPAC Name(E)-1,1,1,2,2,3,3,6,6,7,7,8,8,8-tetradecafluorooct-4-ene
SMILESFC(F)(F)C(F)(F)C(F)(F)/C=C/C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H2F14/c9-3(10,5(13,14)7(17,18)19)1-2-4(11,12)6(15,16)8(20,21)22/h1-2H/b2-1+
InChIKeyNIJFGUAYRFPTBD-OWOJBTEDSA-N
XLogP5.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.08
LogP ≤ 55.21
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 (E)-1,1,1,2,2,3,3,6,6,7,7,8,8,8-tetradecafluorooct-4-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 (E)-1,1,1,2,2,3,3,6,6,7,7,8,8,8-tetradecafluorooct-4-ene?
The IUPAC name of (E)-1,1,1,2,2,3,3,6,6,7,7,8,8,8-tetradecafluorooct-4-ene (CID 12751148) is (E)-1,1,1,2,2,3,3,6,6,7,7,8,8,8-tetradecafluorooct-4-ene.
What is the SMILES notation for (E)-1,1,1,2,2,3,3,6,6,7,7,8,8,8-tetradecafluorooct-4-ene?
The canonical SMILES for (E)-1,1,1,2,2,3,3,6,6,7,7,8,8,8-tetradecafluorooct-4-ene is FC(F)(F)C(F)(F)C(F)(F)/C=C/C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of (E)-1,1,1,2,2,3,3,6,6,7,7,8,8,8-tetradecafluorooct-4-ene?
The InChIKey is NIJFGUAYRFPTBD-OWOJBTEDSA-N. The full InChI is InChI=1S/C8H2F14/c9-3(10,5(13,14)7(17,18)19)1-2-4(11,12)6(15,16)8(20,21)22/h1-2H/b2-1+.
What are the key properties of (E)-1,1,1,2,2,3,3,6,6,7,7,8,8,8-tetradecafluorooct-4-ene?
(E)-1,1,1,2,2,3,3,6,6,7,7,8,8,8-tetradecafluorooct-4-ene has a molecular weight of 364.08 g/mol, XLogP of 5.21, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1,1,2,2,3,3,6,6,7,7,8,8,8-tetradecafluorooct-4-ene is sourced from PubChem (CID 12751148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).