9-[4-(3-aminopyrrolidin-1-yl)butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide

C24H28F3N3O — CID 11026405

IUPAC9-[4-(3-aminopyrrolidin-1-yl)butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide
SMILESNC1CCN(CCCCC2(C(=O)NCC(F)(F)F)c3ccccc3-c3ccccc32)C1
InChIInChI=1S/C24H28F3N3O/c25-24(26,27)16-29-22(31)23(12-5-6-13-30-14-11-17(28)15-30)20-9-3-1-7-18(20)19-8-2-4-10-21(19)23/h1-4,7-10,17H,5-6,11-16,28H2,(H,29,31)
InChIKeyVOEFKZNWKBUQLK-UHFFFAOYSA-N
MW431.50 g/mol
LogP3.83
Rot. Bonds7

About 9-[4-(3-aminopyrrolidin-1-yl)butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide

9-[4-(3-aminopyrrolidin-1-yl)butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide (PubChem CID 11026405) has the molecular formula C24H28F3N3O and a molecular weight of 431.50 g/mol. Its IUPAC name is 9-[4-(3-aminopyrrolidin-1-yl)butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide.

Molecular Properties

Compound Name9-[4-(3-aminopyrrolidin-1-yl)butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide
PubChem CID11026405
Molecular FormulaC24H28F3N3O
Molecular Weight431.50 g/mol
Exact Mass431.22
IUPAC Name9-[4-(3-aminopyrrolidin-1-yl)butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide
SMILESNC1CCN(CCCCC2(C(=O)NCC(F)(F)F)c3ccccc3-c3ccccc32)C1
InChIInChI=1S/C24H28F3N3O/c25-24(26,27)16-29-22(31)23(12-5-6-13-30-14-11-17(28)15-30)20-9-3-1-7-18(20)19-8-2-4-10-21(19)23/h1-4,7-10,17H,5-6,11-16,28H2,(H,29,31)
InChIKeyVOEFKZNWKBUQLK-UHFFFAOYSA-N
XLogP3.83
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-[4-(3-aminopyrrolidin-1-yl)butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide?
The IUPAC name of 9-[4-(3-aminopyrrolidin-1-yl)butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide (CID 11026405) is 9-[4-(3-aminopyrrolidin-1-yl)butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide.
What is the SMILES notation for 9-[4-(3-aminopyrrolidin-1-yl)butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide?
The canonical SMILES for 9-[4-(3-aminopyrrolidin-1-yl)butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide is NC1CCN(CCCCC2(C(=O)NCC(F)(F)F)c3ccccc3-c3ccccc32)C1.
What is the InChIKey of 9-[4-(3-aminopyrrolidin-1-yl)butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide?
The InChIKey is VOEFKZNWKBUQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F3N3O/c25-24(26,27)16-29-22(31)23(12-5-6-13-30-14-11-17(28)15-30)20-9-3-1-7-18(20)19-8-2-4-10-21(19)23/h1-4,7-10,17H,5-6,11-16,28H2,(H,29,31).
What are the key properties of 9-[4-(3-aminopyrrolidin-1-yl)butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide?
9-[4-(3-aminopyrrolidin-1-yl)butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide has a molecular weight of 431.50 g/mol, XLogP of 3.83, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(3-aminopyrrolidin-1-yl)butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide is sourced from PubChem (CID 11026405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).