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

C10H14F2N2O2 — CID 114384557

IUPAC2-(3-amino-2,2-difluoropropyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
SMILESNCC(F)(F)CN1C(=O)C2CCCC2C1=O
InChIInChI=1S/C10H14F2N2O2/c11-10(12,4-13)5-14-8(15)6-2-1-3-7(6)9(14)16/h6-7H,1-5,13H2
InChIKeyMGZSIJRWABOTCP-UHFFFAOYSA-N
MW232.23 g/mol
LogP0.37
Rot. Bonds3

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

2-(3-amino-2,2-difluoropropyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione (PubChem CID 114384557) has the molecular formula C10H14F2N2O2 and a molecular weight of 232.23 g/mol. Its IUPAC name is 2-(3-amino-2,2-difluoropropyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione.

Molecular Properties

Compound Name2-(3-amino-2,2-difluoropropyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
PubChem CID114384557
Molecular FormulaC10H14F2N2O2
Molecular Weight232.23 g/mol
Exact Mass232.10
IUPAC Name2-(3-amino-2,2-difluoropropyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
SMILESNCC(F)(F)CN1C(=O)C2CCCC2C1=O
InChIInChI=1S/C10H14F2N2O2/c11-10(12,4-13)5-14-8(15)6-2-1-3-7(6)9(14)16/h6-7H,1-5,13H2
InChIKeyMGZSIJRWABOTCP-UHFFFAOYSA-N
XLogP0.37
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(3-amino-2,2-difluoropropyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione with MolForge

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Related Compounds

2-(aminomethyl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide
CID 65893945
5,5-Difluoro-1,2,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-3-one
CID 84716766
2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 103366660
2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 103366661
2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 103366662
3,3,3-trifluoro-2-[(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)methyl]propanenitrile
CID 103368211
2-[(5-ethyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)methyl]-3,3,3-trifluoropropanenitrile
CID 103368212
3,3,3-trifluoro-2-[(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)methyl]propanethioamide
CID 103369006
2-[(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)methyl]-3,3,3-trifluoropropanethioamide
CID 103369007
2-[(5-ethyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)methyl]-3,3,3-trifluoropropanethioamide
CID 103369008
2-[6-(trifluoromethyl)piperidin-3-yl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 103979604
2-(3-Amino-2,2-difluoropropyl)-2-azaspiro[4.4]nonane-1,3-dione
CID 113577856

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2,2-difluoropropyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The IUPAC name of 2-(3-amino-2,2-difluoropropyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione (CID 114384557) is 2-(3-amino-2,2-difluoropropyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione.
What is the SMILES notation for 2-(3-amino-2,2-difluoropropyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The canonical SMILES for 2-(3-amino-2,2-difluoropropyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione is NCC(F)(F)CN1C(=O)C2CCCC2C1=O.
What is the InChIKey of 2-(3-amino-2,2-difluoropropyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The InChIKey is MGZSIJRWABOTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2O2/c11-10(12,4-13)5-14-8(15)6-2-1-3-7(6)9(14)16/h6-7H,1-5,13H2.
What are the key properties of 2-(3-amino-2,2-difluoropropyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
2-(3-amino-2,2-difluoropropyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione has a molecular weight of 232.23 g/mol, XLogP of 0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2,2-difluoropropyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione is sourced from PubChem (CID 114384557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).