3-(4-fluorophenyl)-1H-pyrrole

C10H8FN — CID 12665440

IUPAC3-(4-fluorophenyl)-1H-pyrrole
SMILESFc1ccc(-c2cc[nH]c2)cc1
InChIInChI=1S/C10H8FN/c11-10-3-1-8(2-4-10)9-5-6-12-7-9/h1-7,12H
InChIKeyDDMZYAVIANBIBY-UHFFFAOYSA-N
MW161.18 g/mol
LogP2.82
Rot. Bonds1

About 3-(4-fluorophenyl)-1H-pyrrole

3-(4-fluorophenyl)-1H-pyrrole (PubChem CID 12665440) has the molecular formula C10H8FN and a molecular weight of 161.18 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1H-pyrrole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1H-pyrrole
PubChem CID12665440
Molecular FormulaC10H8FN
Molecular Weight161.18 g/mol
Exact Mass161.06
IUPAC Name3-(4-fluorophenyl)-1H-pyrrole
SMILESFc1ccc(-c2cc[nH]c2)cc1
InChIInChI=1S/C10H8FN/c11-10-3-1-8(2-4-10)9-5-6-12-7-9/h1-7,12H
InChIKeyDDMZYAVIANBIBY-UHFFFAOYSA-N
XLogP2.82
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.18
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1H-pyrrole?
The IUPAC name of 3-(4-fluorophenyl)-1H-pyrrole (CID 12665440) is 3-(4-fluorophenyl)-1H-pyrrole.
What is the SMILES notation for 3-(4-fluorophenyl)-1H-pyrrole?
The canonical SMILES for 3-(4-fluorophenyl)-1H-pyrrole is Fc1ccc(-c2cc[nH]c2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-1H-pyrrole?
The InChIKey is DDMZYAVIANBIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN/c11-10-3-1-8(2-4-10)9-5-6-12-7-9/h1-7,12H.
What are the key properties of 3-(4-fluorophenyl)-1H-pyrrole?
3-(4-fluorophenyl)-1H-pyrrole has a molecular weight of 161.18 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1H-pyrrole is sourced from PubChem (CID 12665440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).