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

C10H10FN — CID 12009049

IUPAC5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrole
SMILESFc1cccc(C2=NCCC2)c1
InChIInChI=1S/C10H10FN/c11-9-4-1-3-8(7-9)10-5-2-6-12-10/h1,3-4,7H,2,5-6H2
InChIKeyDKVORXXCYFHXCN-UHFFFAOYSA-N
MW163.19 g/mol
LogP2.41
Rot. Bonds1

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

5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrole (PubChem CID 12009049) has the molecular formula C10H10FN and a molecular weight of 163.19 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrole
PubChem CID12009049
Molecular FormulaC10H10FN
Molecular Weight163.19 g/mol
Exact Mass163.08
IUPAC Name5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrole
SMILESFc1cccc(C2=NCCC2)c1
InChIInChI=1S/C10H10FN/c11-9-4-1-3-8(7-9)10-5-2-6-12-10/h1,3-4,7H,2,5-6H2
InChIKeyDKVORXXCYFHXCN-UHFFFAOYSA-N
XLogP2.41
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.19
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrole?
The IUPAC name of 5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrole (CID 12009049) is 5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrole is Fc1cccc(C2=NCCC2)c1.
What is the InChIKey of 5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrole?
The InChIKey is DKVORXXCYFHXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN/c11-9-4-1-3-8(7-9)10-5-2-6-12-10/h1,3-4,7H,2,5-6H2.
What are the key properties of 5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrole?
5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrole has a molecular weight of 163.19 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 12009049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).