1,1,1,2,2,3,3,4,4-nonafluoropentane

C5H3F9 — CID 18678984

IUPAC1,1,1,2,2,3,3,4,4-nonafluoropentane
SMILESCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H3F9/c1-2(6,7)3(8,9)4(10,11)5(12,13)14/h1H3
InChIKeyRGRJUIGTKHAMBM-UHFFFAOYSA-N
MW234.06 g/mol
LogP3.47
Rot. Bonds2

About 1,1,1,2,2,3,3,4,4-nonafluoropentane

1,1,1,2,2,3,3,4,4-nonafluoropentane (PubChem CID 18678984) has the molecular formula C5H3F9 and a molecular weight of 234.06 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,4,4-nonafluoropentane.

Molecular Properties

Compound Name1,1,1,2,2,3,3,4,4-nonafluoropentane
PubChem CID18678984
Molecular FormulaC5H3F9
Molecular Weight234.06 g/mol
Exact Mass234.01
IUPAC Name1,1,1,2,2,3,3,4,4-nonafluoropentane
SMILESCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H3F9/c1-2(6,7)3(8,9)4(10,11)5(12,13)14/h1H3
InChIKeyRGRJUIGTKHAMBM-UHFFFAOYSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.06
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,1,1,2,2,3,3,4,4-nonafluoropentane 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-nonafluoropentane?
The IUPAC name of 1,1,1,2,2,3,3,4,4-nonafluoropentane (CID 18678984) is 1,1,1,2,2,3,3,4,4-nonafluoropentane.
What is the SMILES notation for 1,1,1,2,2,3,3,4,4-nonafluoropentane?
The canonical SMILES for 1,1,1,2,2,3,3,4,4-nonafluoropentane is CC(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-nonafluoropentane?
The InChIKey is RGRJUIGTKHAMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F9/c1-2(6,7)3(8,9)4(10,11)5(12,13)14/h1H3.
What are the key properties of 1,1,1,2,2,3,3,4,4-nonafluoropentane?
1,1,1,2,2,3,3,4,4-nonafluoropentane has a molecular weight of 234.06 g/mol, XLogP of 3.47, 2 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-nonafluoropentane is sourced from PubChem (CID 18678984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).