1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine;dihydrochloride

C₆H₁₃Cl₂F₃N₂ — CID 121209032

About 1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine;dihydrochloride

1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine;dihydrochloride (PubChem CID 121209032) has the molecular formula C₆H₁₃Cl₂F₃N₂ and a molecular weight of 241.08 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine;dihydrochloride.

Molecular Properties

• Compound Name: 1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine;dihydrochloride
• PubChem CID: 121209032
• Molecular Formula: C₆H₁₃Cl₂F₃N₂
• Molecular Weight: 241.08 g/mol
• Exact Mass: 240.04
• IUPAC Name: 1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine;dihydrochloride
• SMILES: Cl.Cl.NC1CCN(CC(F)(F)F)C1
• InChI: InChI=1S/C6H11F3N2.2ClH/c7-6(8,9)4-11-2-1-5(10)3-11;;/h5H,1-4,10H2;2*1H
• InChIKey: QRYMVOXOYVAWEK-UHFFFAOYSA-N
• XLogP: 1.43
• TPSA: 29.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	241.08
LogP ≤ 5	1.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine;dihydrochloride?

The IUPAC name of 1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine;dihydrochloride (CID 121209032) is 1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine;dihydrochloride.

What is the SMILES notation for 1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine;dihydrochloride?

The canonical SMILES for 1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine;dihydrochloride is Cl.Cl.NC1CCN(CC(F)(F)F)C1.

What is the InChIKey of 1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine;dihydrochloride?

The InChIKey is QRYMVOXOYVAWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3N2.2ClH/c7-6(8,9)4-11-2-1-5(10)3-11;;/h5H,1-4,10H2;2*1H.

What are the key properties of 1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine;dihydrochloride?

1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine;dihydrochloride has a molecular weight of 241.08 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,2,2-trifluoroethyl)pyrrolidin-3-amine;dihydrochloride is sourced from PubChem (CID 121209032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 121209032 — identifiers, structure, computed properties (public domain)

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