5-(4-fluorophenyl)-2-methyl-3,4-dihydro-2H-pyrrole

C11H12FN — CID 102142893

IUPAC5-(4-fluorophenyl)-2-methyl-3,4-dihydro-2H-pyrrole
SMILESCC1CCC(c2ccc(F)cc2)=N1
InChIInChI=1S/C11H12FN/c1-8-2-7-11(13-8)9-3-5-10(12)6-4-9/h3-6,8H,2,7H2,1H3
InChIKeyXHWLGVSCNFGESB-UHFFFAOYSA-N
MW177.22 g/mol
LogP2.80
Rot. Bonds1

About 5-(4-fluorophenyl)-2-methyl-3,4-dihydro-2H-pyrrole

5-(4-fluorophenyl)-2-methyl-3,4-dihydro-2H-pyrrole (PubChem CID 102142893) has the molecular formula C11H12FN and a molecular weight of 177.22 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-2-methyl-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name5-(4-fluorophenyl)-2-methyl-3,4-dihydro-2H-pyrrole
PubChem CID102142893
Molecular FormulaC11H12FN
Molecular Weight177.22 g/mol
Exact Mass177.10
IUPAC Name5-(4-fluorophenyl)-2-methyl-3,4-dihydro-2H-pyrrole
SMILESCC1CCC(c2ccc(F)cc2)=N1
InChIInChI=1S/C11H12FN/c1-8-2-7-11(13-8)9-3-5-10(12)6-4-9/h3-6,8H,2,7H2,1H3
InChIKeyXHWLGVSCNFGESB-UHFFFAOYSA-N
XLogP2.80
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.22
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-2-methyl-3,4-dihydro-2H-pyrrole?
The IUPAC name of 5-(4-fluorophenyl)-2-methyl-3,4-dihydro-2H-pyrrole (CID 102142893) is 5-(4-fluorophenyl)-2-methyl-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 5-(4-fluorophenyl)-2-methyl-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 5-(4-fluorophenyl)-2-methyl-3,4-dihydro-2H-pyrrole is CC1CCC(c2ccc(F)cc2)=N1.
What is the InChIKey of 5-(4-fluorophenyl)-2-methyl-3,4-dihydro-2H-pyrrole?
The InChIKey is XHWLGVSCNFGESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN/c1-8-2-7-11(13-8)9-3-5-10(12)6-4-9/h3-6,8H,2,7H2,1H3.
What are the key properties of 5-(4-fluorophenyl)-2-methyl-3,4-dihydro-2H-pyrrole?
5-(4-fluorophenyl)-2-methyl-3,4-dihydro-2H-pyrrole has a molecular weight of 177.22 g/mol, XLogP of 2.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-2-methyl-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 102142893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).