3-(5-chloro-2-fluorophenyl)-2,3-dihydro-1H-pyrrole

C10H9ClFN — CID 141082922

IUPAC3-(5-chloro-2-fluorophenyl)-2,3-dihydro-1H-pyrrole
SMILESFc1ccc(Cl)cc1C1C=CNC1
InChIInChI=1S/C10H9ClFN/c11-8-1-2-10(12)9(5-8)7-3-4-13-6-7/h1-5,7,13H,6H2
InChIKeyJMJYGUWYKQFXDZ-UHFFFAOYSA-N
MW197.64 g/mol
LogP2.68
Rot. Bonds1

About 3-(5-chloro-2-fluorophenyl)-2,3-dihydro-1H-pyrrole

3-(5-chloro-2-fluorophenyl)-2,3-dihydro-1H-pyrrole (PubChem CID 141082922) has the molecular formula C10H9ClFN and a molecular weight of 197.64 g/mol. Its IUPAC name is 3-(5-chloro-2-fluorophenyl)-2,3-dihydro-1H-pyrrole.

Molecular Properties

Compound Name3-(5-chloro-2-fluorophenyl)-2,3-dihydro-1H-pyrrole
PubChem CID141082922
Molecular FormulaC10H9ClFN
Molecular Weight197.64 g/mol
Exact Mass197.04
IUPAC Name3-(5-chloro-2-fluorophenyl)-2,3-dihydro-1H-pyrrole
SMILESFc1ccc(Cl)cc1C1C=CNC1
InChIInChI=1S/C10H9ClFN/c11-8-1-2-10(12)9(5-8)7-3-4-13-6-7/h1-5,7,13H,6H2
InChIKeyJMJYGUWYKQFXDZ-UHFFFAOYSA-N
XLogP2.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.64
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-fluorophenyl)-2,3-dihydro-1H-pyrrole?
The IUPAC name of 3-(5-chloro-2-fluorophenyl)-2,3-dihydro-1H-pyrrole (CID 141082922) is 3-(5-chloro-2-fluorophenyl)-2,3-dihydro-1H-pyrrole.
What is the SMILES notation for 3-(5-chloro-2-fluorophenyl)-2,3-dihydro-1H-pyrrole?
The canonical SMILES for 3-(5-chloro-2-fluorophenyl)-2,3-dihydro-1H-pyrrole is Fc1ccc(Cl)cc1C1C=CNC1.
What is the InChIKey of 3-(5-chloro-2-fluorophenyl)-2,3-dihydro-1H-pyrrole?
The InChIKey is JMJYGUWYKQFXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFN/c11-8-1-2-10(12)9(5-8)7-3-4-13-6-7/h1-5,7,13H,6H2.
What are the key properties of 3-(5-chloro-2-fluorophenyl)-2,3-dihydro-1H-pyrrole?
3-(5-chloro-2-fluorophenyl)-2,3-dihydro-1H-pyrrole has a molecular weight of 197.64 g/mol, XLogP of 2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-fluorophenyl)-2,3-dihydro-1H-pyrrole is sourced from PubChem (CID 141082922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).