7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-pentadecafluorotridec-5-ene

C13H11F15 — CID 54254754

IUPAC7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-pentadecafluorotridec-5-ene
SMILESCCCCC=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C13H11F15/c1-2-3-4-5-6-7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)28/h5-6H,2-4H2,1H3
InChIKeyPBFFYNBAOSKDGF-UHFFFAOYSA-N
MW452.20 g/mol
LogP7.11
Rot. Bonds9

About 7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-pentadecafluorotridec-5-ene

7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-pentadecafluorotridec-5-ene (PubChem CID 54254754) has the molecular formula C13H11F15 and a molecular weight of 452.20 g/mol. Its IUPAC name is 7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-pentadecafluorotridec-5-ene.

Molecular Properties

Compound Name7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-pentadecafluorotridec-5-ene
PubChem CID54254754
Molecular FormulaC13H11F15
Molecular Weight452.20 g/mol
Exact Mass452.06
IUPAC Name7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-pentadecafluorotridec-5-ene
SMILESCCCCC=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C13H11F15/c1-2-3-4-5-6-7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)28/h5-6H,2-4H2,1H3
InChIKeyPBFFYNBAOSKDGF-UHFFFAOYSA-N
XLogP7.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.20
LogP ≤ 57.11
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 7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-pentadecafluorotridec-5-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 7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-pentadecafluorotridec-5-ene?
The IUPAC name of 7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-pentadecafluorotridec-5-ene (CID 54254754) is 7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-pentadecafluorotridec-5-ene.
What is the SMILES notation for 7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-pentadecafluorotridec-5-ene?
The canonical SMILES for 7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-pentadecafluorotridec-5-ene is CCCCC=CC(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 7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-pentadecafluorotridec-5-ene?
The InChIKey is PBFFYNBAOSKDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F15/c1-2-3-4-5-6-7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)28/h5-6H,2-4H2,1H3.
What are the key properties of 7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-pentadecafluorotridec-5-ene?
7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-pentadecafluorotridec-5-ene has a molecular weight of 452.20 g/mol, XLogP of 7.11, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-pentadecafluorotridec-5-ene is sourced from PubChem (CID 54254754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).