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

C10H13F2NO3 — CID 106172560

IUPAC2-(2,2-difluoro-3-hydroxypropyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
SMILESO=C1C2CCCC2C(=O)N1CC(F)(F)CO
InChIInChI=1S/C10H13F2NO3/c11-10(12,5-14)4-13-8(15)6-2-1-3-7(6)9(13)16/h6-7,14H,1-5H2
InChIKeyJWPGYGUURYRCST-UHFFFAOYSA-N
MW233.21 g/mol
LogP0.40
Rot. Bonds3

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

2-(2,2-difluoro-3-hydroxypropyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione (PubChem CID 106172560) has the molecular formula C10H13F2NO3 and a molecular weight of 233.21 g/mol. Its IUPAC name is 2-(2,2-difluoro-3-hydroxypropyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione.

Molecular Properties

Compound Name2-(2,2-difluoro-3-hydroxypropyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
PubChem CID106172560
Molecular FormulaC10H13F2NO3
Molecular Weight233.21 g/mol
Exact Mass233.09
IUPAC Name2-(2,2-difluoro-3-hydroxypropyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
SMILESO=C1C2CCCC2C(=O)N1CC(F)(F)CO
InChIInChI=1S/C10H13F2NO3/c11-10(12,5-14)4-13-8(15)6-2-1-3-7(6)9(13)16/h6-7,14H,1-5H2
InChIKeyJWPGYGUURYRCST-UHFFFAOYSA-N
XLogP0.40
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.21
LogP ≤ 50.40
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-(2,2-difluoro-3-hydroxypropyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The IUPAC name of 2-(2,2-difluoro-3-hydroxypropyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione (CID 106172560) is 2-(2,2-difluoro-3-hydroxypropyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione.
What is the SMILES notation for 2-(2,2-difluoro-3-hydroxypropyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The canonical SMILES for 2-(2,2-difluoro-3-hydroxypropyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione is O=C1C2CCCC2C(=O)N1CC(F)(F)CO.
What is the InChIKey of 2-(2,2-difluoro-3-hydroxypropyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
The InChIKey is JWPGYGUURYRCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO3/c11-10(12,5-14)4-13-8(15)6-2-1-3-7(6)9(13)16/h6-7,14H,1-5H2.
What are the key properties of 2-(2,2-difluoro-3-hydroxypropyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione?
2-(2,2-difluoro-3-hydroxypropyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione has a molecular weight of 233.21 g/mol, XLogP of 0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoro-3-hydroxypropyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione is sourced from PubChem (CID 106172560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).