1-cyclopropyl-2-(4-fluorophenyl)-5-methylpyrrole

C14H14FN — CID 82078586

IUPAC1-cyclopropyl-2-(4-fluorophenyl)-5-methylpyrrole
SMILESCc1ccc(-c2ccc(F)cc2)n1C1CC1
InChIInChI=1S/C14H14FN/c1-10-2-9-14(16(10)13-7-8-13)11-3-5-12(15)6-4-11/h2-6,9,13H,7-8H2,1H3
InChIKeyCRAUVWLLHCHPDG-UHFFFAOYSA-N
MW215.27 g/mol
LogP3.94
Rot. Bonds2

About 1-cyclopropyl-2-(4-fluorophenyl)-5-methylpyrrole

1-cyclopropyl-2-(4-fluorophenyl)-5-methylpyrrole (PubChem CID 82078586) has the molecular formula C14H14FN and a molecular weight of 215.27 g/mol. Its IUPAC name is 1-cyclopropyl-2-(4-fluorophenyl)-5-methylpyrrole.

Molecular Properties

Compound Name1-cyclopropyl-2-(4-fluorophenyl)-5-methylpyrrole
PubChem CID82078586
Molecular FormulaC14H14FN
Molecular Weight215.27 g/mol
Exact Mass215.11
IUPAC Name1-cyclopropyl-2-(4-fluorophenyl)-5-methylpyrrole
SMILESCc1ccc(-c2ccc(F)cc2)n1C1CC1
InChIInChI=1S/C14H14FN/c1-10-2-9-14(16(10)13-7-8-13)11-3-5-12(15)6-4-11/h2-6,9,13H,7-8H2,1H3
InChIKeyCRAUVWLLHCHPDG-UHFFFAOYSA-N
XLogP3.94
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_C(8)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(4-fluorophenyl)-5-methylpyrrole?
The IUPAC name of 1-cyclopropyl-2-(4-fluorophenyl)-5-methylpyrrole (CID 82078586) is 1-cyclopropyl-2-(4-fluorophenyl)-5-methylpyrrole.
What is the SMILES notation for 1-cyclopropyl-2-(4-fluorophenyl)-5-methylpyrrole?
The canonical SMILES for 1-cyclopropyl-2-(4-fluorophenyl)-5-methylpyrrole is Cc1ccc(-c2ccc(F)cc2)n1C1CC1.
What is the InChIKey of 1-cyclopropyl-2-(4-fluorophenyl)-5-methylpyrrole?
The InChIKey is CRAUVWLLHCHPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN/c1-10-2-9-14(16(10)13-7-8-13)11-3-5-12(15)6-4-11/h2-6,9,13H,7-8H2,1H3.
What are the key properties of 1-cyclopropyl-2-(4-fluorophenyl)-5-methylpyrrole?
1-cyclopropyl-2-(4-fluorophenyl)-5-methylpyrrole has a molecular weight of 215.27 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(4-fluorophenyl)-5-methylpyrrole is sourced from PubChem (CID 82078586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).