1-(1,1,2,2-tetrafluoroethyl)pyrrole

C6H5F4N — CID 24880293

IUPAC1-(1,1,2,2-tetrafluoroethyl)pyrrole
SMILESFC(F)C(F)(F)n1cccc1
InChIInChI=1S/C6H5F4N/c7-5(8)6(9,10)11-3-1-2-4-11/h1-5H
InChIKeyWQXTYBDMGFCLCE-UHFFFAOYSA-N
MW167.11 g/mol
LogP2.30
Rot. Bonds2

About 1-(1,1,2,2-tetrafluoroethyl)pyrrole

1-(1,1,2,2-tetrafluoroethyl)pyrrole (PubChem CID 24880293) has the molecular formula C6H5F4N and a molecular weight of 167.11 g/mol. Its IUPAC name is 1-(1,1,2,2-tetrafluoroethyl)pyrrole.

Molecular Properties

Compound Name1-(1,1,2,2-tetrafluoroethyl)pyrrole
PubChem CID24880293
Molecular FormulaC6H5F4N
Molecular Weight167.11 g/mol
Exact Mass167.04
IUPAC Name1-(1,1,2,2-tetrafluoroethyl)pyrrole
SMILESFC(F)C(F)(F)n1cccc1
InChIInChI=1S/C6H5F4N/c7-5(8)6(9,10)11-3-1-2-4-11/h1-5H
InChIKeyWQXTYBDMGFCLCE-UHFFFAOYSA-N
XLogP2.30
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.11
LogP ≤ 52.30
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-tetrafluoroethyl)pyrrole?
The IUPAC name of 1-(1,1,2,2-tetrafluoroethyl)pyrrole (CID 24880293) is 1-(1,1,2,2-tetrafluoroethyl)pyrrole.
What is the SMILES notation for 1-(1,1,2,2-tetrafluoroethyl)pyrrole?
The canonical SMILES for 1-(1,1,2,2-tetrafluoroethyl)pyrrole is FC(F)C(F)(F)n1cccc1.
What is the InChIKey of 1-(1,1,2,2-tetrafluoroethyl)pyrrole?
The InChIKey is WQXTYBDMGFCLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F4N/c7-5(8)6(9,10)11-3-1-2-4-11/h1-5H.
What are the key properties of 1-(1,1,2,2-tetrafluoroethyl)pyrrole?
1-(1,1,2,2-tetrafluoroethyl)pyrrole has a molecular weight of 167.11 g/mol, XLogP of 2.30, 2 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-tetrafluoroethyl)pyrrole is sourced from PubChem (CID 24880293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).