5-(2-fluorophenyl)-3H-pyrrole

C10H8FN — CID 175375339

IUPAC5-(2-fluorophenyl)-3H-pyrrole
SMILESFc1ccccc1C1=CCC=N1
InChIInChI=1S/C10H8FN/c11-9-5-2-1-4-8(9)10-6-3-7-12-10/h1-2,4-7H,3H2
InChIKeyZBFAEWJHNUZPBX-UHFFFAOYSA-N
MW161.18 g/mol
LogP2.64
Rot. Bonds1

About 5-(2-fluorophenyl)-3H-pyrrole

5-(2-fluorophenyl)-3H-pyrrole (PubChem CID 175375339) has the molecular formula C10H8FN and a molecular weight of 161.18 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-3H-pyrrole.

Molecular Properties

Compound Name5-(2-fluorophenyl)-3H-pyrrole
PubChem CID175375339
Molecular FormulaC10H8FN
Molecular Weight161.18 g/mol
Exact Mass161.06
IUPAC Name5-(2-fluorophenyl)-3H-pyrrole
SMILESFc1ccccc1C1=CCC=N1
InChIInChI=1S/C10H8FN/c11-9-5-2-1-4-8(9)10-6-3-7-12-10/h1-2,4-7H,3H2
InChIKeyZBFAEWJHNUZPBX-UHFFFAOYSA-N
XLogP2.64
TPSA12.36 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 ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-3H-pyrrole?
The IUPAC name of 5-(2-fluorophenyl)-3H-pyrrole (CID 175375339) is 5-(2-fluorophenyl)-3H-pyrrole.
What is the SMILES notation for 5-(2-fluorophenyl)-3H-pyrrole?
The canonical SMILES for 5-(2-fluorophenyl)-3H-pyrrole is Fc1ccccc1C1=CCC=N1.
What is the InChIKey of 5-(2-fluorophenyl)-3H-pyrrole?
The InChIKey is ZBFAEWJHNUZPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN/c11-9-5-2-1-4-8(9)10-6-3-7-12-10/h1-2,4-7H,3H2.
What are the key properties of 5-(2-fluorophenyl)-3H-pyrrole?
5-(2-fluorophenyl)-3H-pyrrole has a molecular weight of 161.18 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-3H-pyrrole is sourced from PubChem (CID 175375339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).