1-(4-fluorophenyl)pyrrole

C10H8FN — CID 727844

IUPAC1-(4-fluorophenyl)pyrrole
SMILESFc1ccc(-n2cccc2)cc1
InChIInChI=1S/C10H8FN/c11-9-3-5-10(6-4-9)12-7-1-2-8-12/h1-8H
InChIKeyYMAPGGZDHAHLGN-UHFFFAOYSA-N
MW161.18 g/mol
LogP2.62
Rot. Bonds1

About 1-(4-fluorophenyl)pyrrole

1-(4-fluorophenyl)pyrrole (PubChem CID 727844) has the molecular formula C10H8FN and a molecular weight of 161.18 g/mol. Its IUPAC name is 1-(4-fluorophenyl)pyrrole.

Molecular Properties

Compound Name1-(4-fluorophenyl)pyrrole
PubChem CID727844
Molecular FormulaC10H8FN
Molecular Weight161.18 g/mol
Exact Mass161.06
IUPAC Name1-(4-fluorophenyl)pyrrole
SMILESFc1ccc(-n2cccc2)cc1
InChIInChI=1S/C10H8FN/c11-9-3-5-10(6-4-9)12-7-1-2-8-12/h1-8H
InChIKeyYMAPGGZDHAHLGN-UHFFFAOYSA-N
XLogP2.62
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.18
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)pyrrole?
The IUPAC name of 1-(4-fluorophenyl)pyrrole (CID 727844) is 1-(4-fluorophenyl)pyrrole.
What is the SMILES notation for 1-(4-fluorophenyl)pyrrole?
The canonical SMILES for 1-(4-fluorophenyl)pyrrole is Fc1ccc(-n2cccc2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)pyrrole?
The InChIKey is YMAPGGZDHAHLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN/c11-9-3-5-10(6-4-9)12-7-1-2-8-12/h1-8H.
What are the key properties of 1-(4-fluorophenyl)pyrrole?
1-(4-fluorophenyl)pyrrole has a molecular weight of 161.18 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)pyrrole is sourced from PubChem (CID 727844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).