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

C10H4F5N — CID 616234

IUPAC1-(2,3,4,5,6-pentafluorophenyl)pyrrole
SMILESFc1c(F)c(F)c(-n2cccc2)c(F)c1F
InChIInChI=1S/C10H4F5N/c11-5-6(12)8(14)10(9(15)7(5)13)16-3-1-2-4-16/h1-4H
InChIKeyJJWDYHICSOUNST-UHFFFAOYSA-N
MW233.14 g/mol
LogP3.17
Rot. Bonds1

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

1-(2,3,4,5,6-pentafluorophenyl)pyrrole (PubChem CID 616234) has the molecular formula C10H4F5N and a molecular weight of 233.14 g/mol. Its IUPAC name is 1-(2,3,4,5,6-pentafluorophenyl)pyrrole.

Molecular Properties

Compound Name1-(2,3,4,5,6-pentafluorophenyl)pyrrole
PubChem CID616234
Molecular FormulaC10H4F5N
Molecular Weight233.14 g/mol
Exact Mass233.03
IUPAC Name1-(2,3,4,5,6-pentafluorophenyl)pyrrole
SMILESFc1c(F)c(F)c(-n2cccc2)c(F)c1F
InChIInChI=1S/C10H4F5N/c11-5-6(12)8(14)10(9(15)7(5)13)16-3-1-2-4-16/h1-4H
InChIKeyJJWDYHICSOUNST-UHFFFAOYSA-N
XLogP3.17
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.14
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3,4,5,6-pentafluorophenyl)pyrrole?
The IUPAC name of 1-(2,3,4,5,6-pentafluorophenyl)pyrrole (CID 616234) is 1-(2,3,4,5,6-pentafluorophenyl)pyrrole.
What is the SMILES notation for 1-(2,3,4,5,6-pentafluorophenyl)pyrrole?
The canonical SMILES for 1-(2,3,4,5,6-pentafluorophenyl)pyrrole is Fc1c(F)c(F)c(-n2cccc2)c(F)c1F.
What is the InChIKey of 1-(2,3,4,5,6-pentafluorophenyl)pyrrole?
The InChIKey is JJWDYHICSOUNST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4F5N/c11-5-6(12)8(14)10(9(15)7(5)13)16-3-1-2-4-16/h1-4H.
What are the key properties of 1-(2,3,4,5,6-pentafluorophenyl)pyrrole?
1-(2,3,4,5,6-pentafluorophenyl)pyrrole has a molecular weight of 233.14 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,4,5,6-pentafluorophenyl)pyrrole is sourced from PubChem (CID 616234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).