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

C10H4F13N — CID 11728733

IUPAC1-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyrrole
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)n1cccc1
InChIInChI=1S/C10H4F13N/c11-5(12,7(15,16)9(19,20)21)6(13,14)8(17,18)10(22,23)24-3-1-2-4-24/h1-4H
InChIKeyZRXBOBFISSIPKF-UHFFFAOYSA-N
MW385.12 g/mol
LogP5.14
Rot. Bonds5

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

1-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyrrole (PubChem CID 11728733) has the molecular formula C10H4F13N and a molecular weight of 385.12 g/mol. Its IUPAC name is 1-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyrrole.

Molecular Properties

Compound Name1-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyrrole
PubChem CID11728733
Molecular FormulaC10H4F13N
Molecular Weight385.12 g/mol
Exact Mass385.01
IUPAC Name1-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyrrole
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)n1cccc1
InChIInChI=1S/C10H4F13N/c11-5(12,7(15,16)9(19,20)21)6(13,14)8(17,18)10(22,23)24-3-1-2-4-24/h1-4H
InChIKeyZRXBOBFISSIPKF-UHFFFAOYSA-N
XLogP5.14
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.12
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyrrole?
The IUPAC name of 1-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyrrole (CID 11728733) is 1-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyrrole.
What is the SMILES notation for 1-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyrrole?
The canonical SMILES for 1-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyrrole is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)n1cccc1.
What is the InChIKey of 1-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyrrole?
The InChIKey is ZRXBOBFISSIPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4F13N/c11-5(12,7(15,16)9(19,20)21)6(13,14)8(17,18)10(22,23)24-3-1-2-4-24/h1-4H.
What are the key properties of 1-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyrrole?
1-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyrrole has a molecular weight of 385.12 g/mol, XLogP of 5.14, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyrrole is sourced from PubChem (CID 11728733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).