2-(3-amino-1,1,1-trifluoropropan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione

C10H13F3N2O2 — CID 114512316

IUPAC2-(3-amino-1,1,1-trifluoropropan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
SMILESNCC(N1C(=O)C2CCCC2C1=O)C(F)(F)F
InChIInChI=1S/C10H13F3N2O2/c11-10(12,13)7(4-14)15-8(16)5-2-1-3-6(5)9(15)17/h5-7H,1-4,14H2
InChIKeyHSIDEALKIQDNRK-UHFFFAOYSA-N
MW250.22 g/mol
LogP0.66
Rot. Bonds2

About 2-(3-amino-1,1,1-trifluoropropan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione

2-(3-amino-1,1,1-trifluoropropan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione (PubChem CID 114512316) has the molecular formula C10H13F3N2O2 and a molecular weight of 250.22 g/mol. Its IUPAC name is 2-(3-amino-1,1,1-trifluoropropan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione.

Molecular Properties

Compound Name2-(3-amino-1,1,1-trifluoropropan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
PubChem CID114512316
Molecular FormulaC10H13F3N2O2
Molecular Weight250.22 g/mol
Exact Mass250.09
IUPAC Name2-(3-amino-1,1,1-trifluoropropan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
SMILESNCC(N1C(=O)C2CCCC2C1=O)C(F)(F)F
InChIInChI=1S/C10H13F3N2O2/c11-10(12,13)7(4-14)15-8(16)5-2-1-3-6(5)9(15)17/h5-7H,1-4,14H2
InChIKeyHSIDEALKIQDNRK-UHFFFAOYSA-N
XLogP0.66
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1,1,1-trifluoropropan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The IUPAC name of 2-(3-amino-1,1,1-trifluoropropan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione (CID 114512316) is 2-(3-amino-1,1,1-trifluoropropan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione.
What is the SMILES notation for 2-(3-amino-1,1,1-trifluoropropan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The canonical SMILES for 2-(3-amino-1,1,1-trifluoropropan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione is NCC(N1C(=O)C2CCCC2C1=O)C(F)(F)F.
What is the InChIKey of 2-(3-amino-1,1,1-trifluoropropan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The InChIKey is HSIDEALKIQDNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O2/c11-10(12,13)7(4-14)15-8(16)5-2-1-3-6(5)9(15)17/h5-7H,1-4,14H2.
What are the key properties of 2-(3-amino-1,1,1-trifluoropropan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
2-(3-amino-1,1,1-trifluoropropan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione has a molecular weight of 250.22 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1,1,1-trifluoropropan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione is sourced from PubChem (CID 114512316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).