1-methyl-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyrrole

C11H6F13N — CID 11741617

IUPAC1-methyl-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyrrole
SMILESCn1cccc1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H6F13N/c1-25-4-2-3-5(25)6(12,13)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h2-4H,1H3
InChIKeyCZWWAAJCRNYGSO-UHFFFAOYSA-N
MW399.15 g/mol
LogP5.22
Rot. Bonds5

About 1-methyl-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyrrole

1-methyl-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyrrole (PubChem CID 11741617) has the molecular formula C11H6F13N and a molecular weight of 399.15 g/mol. Its IUPAC name is 1-methyl-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyrrole.

Molecular Properties

Compound Name1-methyl-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyrrole
PubChem CID11741617
Molecular FormulaC11H6F13N
Molecular Weight399.15 g/mol
Exact Mass399.03
IUPAC Name1-methyl-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyrrole
SMILESCn1cccc1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H6F13N/c1-25-4-2-3-5(25)6(12,13)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h2-4H,1H3
InChIKeyCZWWAAJCRNYGSO-UHFFFAOYSA-N
XLogP5.22
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.15
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-methyl-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyrrole 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-methyl-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyrrole?
The IUPAC name of 1-methyl-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyrrole (CID 11741617) is 1-methyl-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyrrole.
What is the SMILES notation for 1-methyl-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyrrole?
The canonical SMILES for 1-methyl-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyrrole is Cn1cccc1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1-methyl-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyrrole?
The InChIKey is CZWWAAJCRNYGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F13N/c1-25-4-2-3-5(25)6(12,13)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h2-4H,1H3.
What are the key properties of 1-methyl-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyrrole?
1-methyl-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyrrole has a molecular weight of 399.15 g/mol, XLogP of 5.22, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyrrole is sourced from PubChem (CID 11741617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).