N-(4-fluorophenyl)-3,4-dihydro-2H-pyrrol-5-amine

C10H11FN2 — CID 2321055

IUPACN-(4-fluorophenyl)-3,4-dihydro-2H-pyrrol-5-amine
SMILESFc1ccc(NC2=NCCC2)cc1
InChIInChI=1S/C10H11FN2/c11-8-3-5-9(6-4-8)13-10-2-1-7-12-10/h3-6H,1-2,7H2,(H,12,13)
InChIKeyOHBJHSBVTSYECA-UHFFFAOYSA-N
MW178.21 g/mol
LogP2.43
Rot. Bonds1

About N-(4-fluorophenyl)-3,4-dihydro-2H-pyrrol-5-amine

N-(4-fluorophenyl)-3,4-dihydro-2H-pyrrol-5-amine (PubChem CID 2321055) has the molecular formula C10H11FN2 and a molecular weight of 178.21 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3,4-dihydro-2H-pyrrol-5-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3,4-dihydro-2H-pyrrol-5-amine
PubChem CID2321055
Molecular FormulaC10H11FN2
Molecular Weight178.21 g/mol
Exact Mass178.09
IUPAC NameN-(4-fluorophenyl)-3,4-dihydro-2H-pyrrol-5-amine
SMILESFc1ccc(NC2=NCCC2)cc1
InChIInChI=1S/C10H11FN2/c11-8-3-5-9(6-4-8)13-10-2-1-7-12-10/h3-6H,1-2,7H2,(H,12,13)
InChIKeyOHBJHSBVTSYECA-UHFFFAOYSA-N
XLogP2.43
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3,4-dihydro-2H-pyrrol-5-amine?
The IUPAC name of N-(4-fluorophenyl)-3,4-dihydro-2H-pyrrol-5-amine (CID 2321055) is N-(4-fluorophenyl)-3,4-dihydro-2H-pyrrol-5-amine.
What is the SMILES notation for N-(4-fluorophenyl)-3,4-dihydro-2H-pyrrol-5-amine?
The canonical SMILES for N-(4-fluorophenyl)-3,4-dihydro-2H-pyrrol-5-amine is Fc1ccc(NC2=NCCC2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-3,4-dihydro-2H-pyrrol-5-amine?
The InChIKey is OHBJHSBVTSYECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2/c11-8-3-5-9(6-4-8)13-10-2-1-7-12-10/h3-6H,1-2,7H2,(H,12,13).
What are the key properties of N-(4-fluorophenyl)-3,4-dihydro-2H-pyrrol-5-amine?
N-(4-fluorophenyl)-3,4-dihydro-2H-pyrrol-5-amine has a molecular weight of 178.21 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3,4-dihydro-2H-pyrrol-5-amine is sourced from PubChem (CID 2321055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).