1,2,3,3,4,4,4-heptafluorobut-1-ene

C8H2F14 — CID 158100137

IUPAC1,2,3,3,4,4,4-heptafluorobut-1-ene
SMILESFC=C(F)C(F)(F)C(F)(F)F.FC=C(F)C(F)(F)C(F)(F)F
InChIInChI=1S/2C4HF7/c2*5-1-2(6)3(7,8)4(9,10)11/h2*1H
InChIKeyFPDROLLPGRXUNL-UHFFFAOYSA-N
MW364.08 g/mol
LogP5.93
Rot. Bonds2

About 1,2,3,3,4,4,4-heptafluorobut-1-ene

1,2,3,3,4,4,4-heptafluorobut-1-ene (PubChem CID 158100137) has the molecular formula C8H2F14 and a molecular weight of 364.08 g/mol. Its IUPAC name is 1,2,3,3,4,4,4-heptafluorobut-1-ene.

Molecular Properties

Compound Name1,2,3,3,4,4,4-heptafluorobut-1-ene
PubChem CID158100137
Molecular FormulaC8H2F14
Molecular Weight364.08 g/mol
Exact Mass363.99
IUPAC Name1,2,3,3,4,4,4-heptafluorobut-1-ene
SMILESFC=C(F)C(F)(F)C(F)(F)F.FC=C(F)C(F)(F)C(F)(F)F
InChIInChI=1S/2C4HF7/c2*5-1-2(6)3(7,8)4(9,10)11/h2*1H
InChIKeyFPDROLLPGRXUNL-UHFFFAOYSA-N
XLogP5.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.08
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,2,3,3,4,4,4-heptafluorobut-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 1,2,3,3,4,4,4-heptafluorobut-1-ene?
The IUPAC name of 1,2,3,3,4,4,4-heptafluorobut-1-ene (CID 158100137) is 1,2,3,3,4,4,4-heptafluorobut-1-ene.
What is the SMILES notation for 1,2,3,3,4,4,4-heptafluorobut-1-ene?
The canonical SMILES for 1,2,3,3,4,4,4-heptafluorobut-1-ene is FC=C(F)C(F)(F)C(F)(F)F.FC=C(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,2,3,3,4,4,4-heptafluorobut-1-ene?
The InChIKey is FPDROLLPGRXUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4HF7/c2*5-1-2(6)3(7,8)4(9,10)11/h2*1H.
What are the key properties of 1,2,3,3,4,4,4-heptafluorobut-1-ene?
1,2,3,3,4,4,4-heptafluorobut-1-ene has a molecular weight of 364.08 g/mol, XLogP of 5.93, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,3,4,4,4-heptafluorobut-1-ene is sourced from PubChem (CID 158100137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).