1,2,11,12-tetrachloro-1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12-docosafluorododecane

C12Cl4F22 — CID 56776411

IUPAC1,2,11,12-tetrachloro-1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12-docosafluorododecane
SMILESFC(F)(Cl)C(F)(Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(Cl)C(F)(F)Cl
InChIInChI=1S/C12Cl4F22/c13-1(17,11(15,35)36)3(19,20)5(23,24)7(27,28)9(31,32)10(33,34)8(29,30)6(25,26)4(21,22)2(14,18)12(16,37)38
InChIKeyQVGXCOZGXTUREC-UHFFFAOYSA-N
MW703.90 g/mol
LogP9.54
Rot. Bonds11

About 1,2,11,12-tetrachloro-1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12-docosafluorododecane

1,2,11,12-tetrachloro-1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12-docosafluorododecane (PubChem CID 56776411) has the molecular formula C12Cl4F22 and a molecular weight of 703.90 g/mol. Its IUPAC name is 1,2,11,12-tetrachloro-1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12-docosafluorododecane.

Molecular Properties

Compound Name1,2,11,12-tetrachloro-1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12-docosafluorododecane
PubChem CID56776411
Molecular FormulaC12Cl4F22
Molecular Weight703.90 g/mol
Exact Mass701.84
IUPAC Name1,2,11,12-tetrachloro-1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12-docosafluorododecane
SMILESFC(F)(Cl)C(F)(Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(Cl)C(F)(F)Cl
InChIInChI=1S/C12Cl4F22/c13-1(17,11(15,35)36)3(19,20)5(23,24)7(27,28)9(31,32)10(33,34)8(29,30)6(25,26)4(21,22)2(14,18)12(16,37)38
InChIKeyQVGXCOZGXTUREC-UHFFFAOYSA-N
XLogP9.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.90
LogP ≤ 59.54
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 1,2,11,12-tetrachloro-1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12-docosafluorododecane 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 1,2,11,12-tetrachloro-1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12-docosafluorododecane?
The IUPAC name of 1,2,11,12-tetrachloro-1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12-docosafluorododecane (CID 56776411) is 1,2,11,12-tetrachloro-1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12-docosafluorododecane.
What is the SMILES notation for 1,2,11,12-tetrachloro-1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12-docosafluorododecane?
The canonical SMILES for 1,2,11,12-tetrachloro-1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12-docosafluorododecane is FC(F)(Cl)C(F)(Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(Cl)C(F)(F)Cl.
What is the InChIKey of 1,2,11,12-tetrachloro-1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12-docosafluorododecane?
The InChIKey is QVGXCOZGXTUREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12Cl4F22/c13-1(17,11(15,35)36)3(19,20)5(23,24)7(27,28)9(31,32)10(33,34)8(29,30)6(25,26)4(21,22)2(14,18)12(16,37)38.
What are the key properties of 1,2,11,12-tetrachloro-1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12-docosafluorododecane?
1,2,11,12-tetrachloro-1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12-docosafluorododecane has a molecular weight of 703.90 g/mol, XLogP of 9.54, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,11,12-tetrachloro-1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12-docosafluorododecane is sourced from PubChem (CID 56776411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).