1,1,1,2,2,3,3,4,4-nonafluorotridecane

C13H19F9 — CID 10807503

IUPAC1,1,1,2,2,3,3,4,4-nonafluorotridecane
SMILESCCCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C13H19F9/c1-2-3-4-5-6-7-8-9-10(14,15)11(16,17)12(18,19)13(20,21)22/h2-9H2,1H3
InChIKeyUJXMIOVGPWESNH-UHFFFAOYSA-N
MW346.28 g/mol
LogP6.60
Rot. Bonds10

About 1,1,1,2,2,3,3,4,4-nonafluorotridecane

1,1,1,2,2,3,3,4,4-nonafluorotridecane (PubChem CID 10807503) has the molecular formula C13H19F9 and a molecular weight of 346.28 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,4,4-nonafluorotridecane.

Molecular Properties

Compound Name1,1,1,2,2,3,3,4,4-nonafluorotridecane
PubChem CID10807503
Molecular FormulaC13H19F9
Molecular Weight346.28 g/mol
Exact Mass346.13
IUPAC Name1,1,1,2,2,3,3,4,4-nonafluorotridecane
SMILESCCCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C13H19F9/c1-2-3-4-5-6-7-8-9-10(14,15)11(16,17)12(18,19)13(20,21)22/h2-9H2,1H3
InChIKeyUJXMIOVGPWESNH-UHFFFAOYSA-N
XLogP6.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.28
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,1,1,2,2,3,3,4,4-nonafluorotridecane 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 1,1,1,2,2,3,3,4,4-nonafluorotridecane?
The IUPAC name of 1,1,1,2,2,3,3,4,4-nonafluorotridecane (CID 10807503) is 1,1,1,2,2,3,3,4,4-nonafluorotridecane.
What is the SMILES notation for 1,1,1,2,2,3,3,4,4-nonafluorotridecane?
The canonical SMILES for 1,1,1,2,2,3,3,4,4-nonafluorotridecane is CCCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,3,4,4-nonafluorotridecane?
The InChIKey is UJXMIOVGPWESNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F9/c1-2-3-4-5-6-7-8-9-10(14,15)11(16,17)12(18,19)13(20,21)22/h2-9H2,1H3.
What are the key properties of 1,1,1,2,2,3,3,4,4-nonafluorotridecane?
1,1,1,2,2,3,3,4,4-nonafluorotridecane has a molecular weight of 346.28 g/mol, XLogP of 6.60, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3,4,4-nonafluorotridecane is sourced from PubChem (CID 10807503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).