1,1,1,2,2,3,3-heptafluoronon-4-ene

C9H11F7 — CID 2774929

IUPAC1,1,1,2,2,3,3-heptafluoronon-4-ene
SMILESCCCCC=CC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H11F7/c1-2-3-4-5-6-7(10,11)8(12,13)9(14,15)16/h5-6H,2-4H2,1H3
InChIKeyDZBBLQUHQSLWOV-UHFFFAOYSA-N
MW252.17 g/mol
LogP4.57
Rot. Bonds5

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

1,1,1,2,2,3,3-heptafluoronon-4-ene (PubChem CID 2774929) has the molecular formula C9H11F7 and a molecular weight of 252.17 g/mol. Its IUPAC name is 1,1,1,2,2,3,3-heptafluoronon-4-ene.

Molecular Properties

Compound Name1,1,1,2,2,3,3-heptafluoronon-4-ene
PubChem CID2774929
Molecular FormulaC9H11F7
Molecular Weight252.17 g/mol
Exact Mass252.07
IUPAC Name1,1,1,2,2,3,3-heptafluoronon-4-ene
SMILESCCCCC=CC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H11F7/c1-2-3-4-5-6-7(10,11)8(12,13)9(14,15)16/h5-6H,2-4H2,1H3
InChIKeyDZBBLQUHQSLWOV-UHFFFAOYSA-N
XLogP4.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.17
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,1,1,2,2,3,3-heptafluoronon-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 1,1,1,2,2,3,3-heptafluoronon-4-ene?
The IUPAC name of 1,1,1,2,2,3,3-heptafluoronon-4-ene (CID 2774929) is 1,1,1,2,2,3,3-heptafluoronon-4-ene.
What is the SMILES notation for 1,1,1,2,2,3,3-heptafluoronon-4-ene?
The canonical SMILES for 1,1,1,2,2,3,3-heptafluoronon-4-ene is CCCCC=CC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,3-heptafluoronon-4-ene?
The InChIKey is DZBBLQUHQSLWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F7/c1-2-3-4-5-6-7(10,11)8(12,13)9(14,15)16/h5-6H,2-4H2,1H3.
What are the key properties of 1,1,1,2,2,3,3-heptafluoronon-4-ene?
1,1,1,2,2,3,3-heptafluoronon-4-ene has a molecular weight of 252.17 g/mol, XLogP of 4.57, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3-heptafluoronon-4-ene is sourced from PubChem (CID 2774929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).