N-(2,6-dichloro-4-fluorophenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine

C13H15Cl2FN2 — CID 83076211

IUPACN-(2,6-dichloro-4-fluorophenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
SMILESFc1cc(Cl)c(NC2CCN3CCCC23)c(Cl)c1
InChIInChI=1S/C13H15Cl2FN2/c14-9-6-8(16)7-10(15)13(9)17-11-3-5-18-4-1-2-12(11)18/h6-7,11-12,17H,1-5H2
InChIKeyJJRIUJRWRDWXEH-UHFFFAOYSA-N
MW289.18 g/mol
LogP3.78
Rot. Bonds2

About N-(2,6-dichloro-4-fluorophenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine

N-(2,6-dichloro-4-fluorophenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (PubChem CID 83076211) has the molecular formula C13H15Cl2FN2 and a molecular weight of 289.18 g/mol. Its IUPAC name is N-(2,6-dichloro-4-fluorophenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine.

Molecular Properties

Compound NameN-(2,6-dichloro-4-fluorophenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
PubChem CID83076211
Molecular FormulaC13H15Cl2FN2
Molecular Weight289.18 g/mol
Exact Mass288.06
IUPAC NameN-(2,6-dichloro-4-fluorophenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
SMILESFc1cc(Cl)c(NC2CCN3CCCC23)c(Cl)c1
InChIInChI=1S/C13H15Cl2FN2/c14-9-6-8(16)7-10(15)13(9)17-11-3-5-18-4-1-2-12(11)18/h6-7,11-12,17H,1-5H2
InChIKeyJJRIUJRWRDWXEH-UHFFFAOYSA-N
XLogP3.78
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.18
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichloro-4-fluorophenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The IUPAC name of N-(2,6-dichloro-4-fluorophenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (CID 83076211) is N-(2,6-dichloro-4-fluorophenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine.
What is the SMILES notation for N-(2,6-dichloro-4-fluorophenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The canonical SMILES for N-(2,6-dichloro-4-fluorophenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine is Fc1cc(Cl)c(NC2CCN3CCCC23)c(Cl)c1.
What is the InChIKey of N-(2,6-dichloro-4-fluorophenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The InChIKey is JJRIUJRWRDWXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2FN2/c14-9-6-8(16)7-10(15)13(9)17-11-3-5-18-4-1-2-12(11)18/h6-7,11-12,17H,1-5H2.
What are the key properties of N-(2,6-dichloro-4-fluorophenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
N-(2,6-dichloro-4-fluorophenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine has a molecular weight of 289.18 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichloro-4-fluorophenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine is sourced from PubChem (CID 83076211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).