(3aS,6aR)-2-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-amine

C8H14F3N3 — CID 118533739

IUPAC(3aS,6aR)-2-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-amine
SMILESNN1C[C@@H]2CN(CC(F)(F)F)C[C@@H]2C1
InChIInChI=1S/C8H14F3N3/c9-8(10,11)5-13-1-6-3-14(12)4-7(6)2-13/h6-7H,1-5,12H2/t6-,7+
InChIKeyRFFVULKOOSJXCR-KNVOCYPGSA-N
MW209.21 g/mol
LogP0.29
Rot. Bonds1

About (3aS,6aR)-2-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-amine

(3aS,6aR)-2-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-amine (PubChem CID 118533739) has the molecular formula C8H14F3N3 and a molecular weight of 209.21 g/mol. Its IUPAC name is (3aS,6aR)-2-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-amine.

Molecular Properties

Compound Name(3aS,6aR)-2-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-amine
PubChem CID118533739
Molecular FormulaC8H14F3N3
Molecular Weight209.21 g/mol
Exact Mass209.11
IUPAC Name(3aS,6aR)-2-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-amine
SMILESNN1C[C@@H]2CN(CC(F)(F)F)C[C@@H]2C1
InChIInChI=1S/C8H14F3N3/c9-8(10,11)5-13-1-6-3-14(12)4-7(6)2-13/h6-7H,1-5,12H2/t6-,7+
InChIKeyRFFVULKOOSJXCR-KNVOCYPGSA-N
XLogP0.29
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-2-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-amine?
The IUPAC name of (3aS,6aR)-2-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-amine (CID 118533739) is (3aS,6aR)-2-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-amine.
What is the SMILES notation for (3aS,6aR)-2-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-amine?
The canonical SMILES for (3aS,6aR)-2-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-amine is NN1C[C@@H]2CN(CC(F)(F)F)C[C@@H]2C1.
What is the InChIKey of (3aS,6aR)-2-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-amine?
The InChIKey is RFFVULKOOSJXCR-KNVOCYPGSA-N. The full InChI is InChI=1S/C8H14F3N3/c9-8(10,11)5-13-1-6-3-14(12)4-7(6)2-13/h6-7H,1-5,12H2/t6-,7+.
What are the key properties of (3aS,6aR)-2-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-amine?
(3aS,6aR)-2-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-amine has a molecular weight of 209.21 g/mol, XLogP of 0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-2-(2,2,2-trifluoroethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-amine is sourced from PubChem (CID 118533739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).