1-(2,3,4,5,6-pentafluorophenyl)-N-propylpyrrolidin-3-amine

C13H15F5N2 — CID 115564610

IUPAC1-(2,3,4,5,6-pentafluorophenyl)-N-propylpyrrolidin-3-amine
SMILESCCCNC1CCN(c2c(F)c(F)c(F)c(F)c2F)C1
InChIInChI=1S/C13H15F5N2/c1-2-4-19-7-3-5-20(6-7)13-11(17)9(15)8(14)10(16)12(13)18/h7,19H,2-6H2,1H3
InChIKeyAAMKLZFRTDTRIB-UHFFFAOYSA-N
MW294.27 g/mol
LogP2.96
Rot. Bonds4

About 1-(2,3,4,5,6-pentafluorophenyl)-N-propylpyrrolidin-3-amine

1-(2,3,4,5,6-pentafluorophenyl)-N-propylpyrrolidin-3-amine (PubChem CID 115564610) has the molecular formula C13H15F5N2 and a molecular weight of 294.27 g/mol. Its IUPAC name is 1-(2,3,4,5,6-pentafluorophenyl)-N-propylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(2,3,4,5,6-pentafluorophenyl)-N-propylpyrrolidin-3-amine
PubChem CID115564610
Molecular FormulaC13H15F5N2
Molecular Weight294.27 g/mol
Exact Mass294.12
IUPAC Name1-(2,3,4,5,6-pentafluorophenyl)-N-propylpyrrolidin-3-amine
SMILESCCCNC1CCN(c2c(F)c(F)c(F)c(F)c2F)C1
InChIInChI=1S/C13H15F5N2/c1-2-4-19-7-3-5-20(6-7)13-11(17)9(15)8(14)10(16)12(13)18/h7,19H,2-6H2,1H3
InChIKeyAAMKLZFRTDTRIB-UHFFFAOYSA-N
XLogP2.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3,4,5,6-pentafluorophenyl)-N-propylpyrrolidin-3-amine?
The IUPAC name of 1-(2,3,4,5,6-pentafluorophenyl)-N-propylpyrrolidin-3-amine (CID 115564610) is 1-(2,3,4,5,6-pentafluorophenyl)-N-propylpyrrolidin-3-amine.
What is the SMILES notation for 1-(2,3,4,5,6-pentafluorophenyl)-N-propylpyrrolidin-3-amine?
The canonical SMILES for 1-(2,3,4,5,6-pentafluorophenyl)-N-propylpyrrolidin-3-amine is CCCNC1CCN(c2c(F)c(F)c(F)c(F)c2F)C1.
What is the InChIKey of 1-(2,3,4,5,6-pentafluorophenyl)-N-propylpyrrolidin-3-amine?
The InChIKey is AAMKLZFRTDTRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F5N2/c1-2-4-19-7-3-5-20(6-7)13-11(17)9(15)8(14)10(16)12(13)18/h7,19H,2-6H2,1H3.
What are the key properties of 1-(2,3,4,5,6-pentafluorophenyl)-N-propylpyrrolidin-3-amine?
1-(2,3,4,5,6-pentafluorophenyl)-N-propylpyrrolidin-3-amine has a molecular weight of 294.27 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,4,5,6-pentafluorophenyl)-N-propylpyrrolidin-3-amine is sourced from PubChem (CID 115564610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).