2,2,3,3,3-pentafluoro-1-(1-methylpyrrolidin-3-yl)propan-1-amine

C8H13F5N2 — CID 20763650

IUPAC2,2,3,3,3-pentafluoro-1-(1-methylpyrrolidin-3-yl)propan-1-amine
SMILESCN1CCC(C(N)C(F)(F)C(F)(F)F)C1
InChIInChI=1S/C8H13F5N2/c1-15-3-2-5(4-15)6(14)7(9,10)8(11,12)13/h5-6H,2-4,14H2,1H3
InChIKeyKVWAMGVPZBNWAR-UHFFFAOYSA-N
MW232.20 g/mol
LogP1.46
Rot. Bonds2

About 2,2,3,3,3-pentafluoro-1-(1-methylpyrrolidin-3-yl)propan-1-amine

2,2,3,3,3-pentafluoro-1-(1-methylpyrrolidin-3-yl)propan-1-amine (PubChem CID 20763650) has the molecular formula C8H13F5N2 and a molecular weight of 232.20 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-1-(1-methylpyrrolidin-3-yl)propan-1-amine.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-1-(1-methylpyrrolidin-3-yl)propan-1-amine
PubChem CID20763650
Molecular FormulaC8H13F5N2
Molecular Weight232.20 g/mol
Exact Mass232.10
IUPAC Name2,2,3,3,3-pentafluoro-1-(1-methylpyrrolidin-3-yl)propan-1-amine
SMILESCN1CCC(C(N)C(F)(F)C(F)(F)F)C1
InChIInChI=1S/C8H13F5N2/c1-15-3-2-5(4-15)6(14)7(9,10)8(11,12)13/h5-6H,2-4,14H2,1H3
InChIKeyKVWAMGVPZBNWAR-UHFFFAOYSA-N
XLogP1.46
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentafluoro-1-(1-methylpyrrolidin-3-yl)propan-1-amine?
The IUPAC name of 2,2,3,3,3-pentafluoro-1-(1-methylpyrrolidin-3-yl)propan-1-amine (CID 20763650) is 2,2,3,3,3-pentafluoro-1-(1-methylpyrrolidin-3-yl)propan-1-amine.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-1-(1-methylpyrrolidin-3-yl)propan-1-amine?
The canonical SMILES for 2,2,3,3,3-pentafluoro-1-(1-methylpyrrolidin-3-yl)propan-1-amine is CN1CCC(C(N)C(F)(F)C(F)(F)F)C1.
What is the InChIKey of 2,2,3,3,3-pentafluoro-1-(1-methylpyrrolidin-3-yl)propan-1-amine?
The InChIKey is KVWAMGVPZBNWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F5N2/c1-15-3-2-5(4-15)6(14)7(9,10)8(11,12)13/h5-6H,2-4,14H2,1H3.
What are the key properties of 2,2,3,3,3-pentafluoro-1-(1-methylpyrrolidin-3-yl)propan-1-amine?
2,2,3,3,3-pentafluoro-1-(1-methylpyrrolidin-3-yl)propan-1-amine has a molecular weight of 232.20 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoro-1-(1-methylpyrrolidin-3-yl)propan-1-amine is sourced from PubChem (CID 20763650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).