2-chloro-1,1,1,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane

C6ClF13 — CID 139815772

IUPAC2-chloro-1,1,1,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(Cl)C(F)(F)F
InChIInChI=1S/C6ClF13/c7-1(8,5(15,16)17)2(9,10)3(11,12)4(13,14)6(18,19)20
InChIKeyPSXQOUMJAOQVDA-UHFFFAOYSA-N
MW354.49 g/mol
LogP4.92
Rot. Bonds3

About 2-chloro-1,1,1,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane

2-chloro-1,1,1,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane (PubChem CID 139815772) has the molecular formula C6ClF13 and a molecular weight of 354.49 g/mol. Its IUPAC name is 2-chloro-1,1,1,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane.

Molecular Properties

Compound Name2-chloro-1,1,1,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane
PubChem CID139815772
Molecular FormulaC6ClF13
Molecular Weight354.49 g/mol
Exact Mass353.95
IUPAC Name2-chloro-1,1,1,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(Cl)C(F)(F)F
InChIInChI=1S/C6ClF13/c7-1(8,5(15,16)17)2(9,10)3(11,12)4(13,14)6(18,19)20
InChIKeyPSXQOUMJAOQVDA-UHFFFAOYSA-N
XLogP4.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-chloro-1,1,1,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane 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 2-chloro-1,1,1,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane?
The IUPAC name of 2-chloro-1,1,1,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane (CID 139815772) is 2-chloro-1,1,1,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane.
What is the SMILES notation for 2-chloro-1,1,1,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane?
The canonical SMILES for 2-chloro-1,1,1,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(Cl)C(F)(F)F.
What is the InChIKey of 2-chloro-1,1,1,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane?
The InChIKey is PSXQOUMJAOQVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6ClF13/c7-1(8,5(15,16)17)2(9,10)3(11,12)4(13,14)6(18,19)20.
What are the key properties of 2-chloro-1,1,1,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane?
2-chloro-1,1,1,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane has a molecular weight of 354.49 g/mol, XLogP of 4.92, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1,1,1,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane is sourced from PubChem (CID 139815772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).