2-[6-(trifluoromethyl)piperidin-3-yl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione

C14H19F3N2O2 — CID 82793923

IUPAC2-[6-(trifluoromethyl)piperidin-3-yl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
SMILESO=C1C2CCCCC2C(=O)N1C1CCC(C(F)(F)F)NC1
InChIInChI=1S/C14H19F3N2O2/c15-14(16,17)11-6-5-8(7-18-11)19-12(20)9-3-1-2-4-10(9)13(19)21/h8-11,18H,1-7H2
InChIKeyDCFVLVUAGUZFGX-UHFFFAOYSA-N
MW304.31 g/mol
LogP1.84
Rot. Bonds1

About 2-[6-(trifluoromethyl)piperidin-3-yl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione

2-[6-(trifluoromethyl)piperidin-3-yl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione (PubChem CID 82793923) has the molecular formula C14H19F3N2O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is 2-[6-(trifluoromethyl)piperidin-3-yl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione.

Molecular Properties

Compound Name2-[6-(trifluoromethyl)piperidin-3-yl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
PubChem CID82793923
Molecular FormulaC14H19F3N2O2
Molecular Weight304.31 g/mol
Exact Mass304.14
IUPAC Name2-[6-(trifluoromethyl)piperidin-3-yl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
SMILESO=C1C2CCCCC2C(=O)N1C1CCC(C(F)(F)F)NC1
InChIInChI=1S/C14H19F3N2O2/c15-14(16,17)11-6-5-8(7-18-11)19-12(20)9-3-1-2-4-10(9)13(19)21/h8-11,18H,1-7H2
InChIKeyDCFVLVUAGUZFGX-UHFFFAOYSA-N
XLogP1.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 51.84
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-[6-(trifluoromethyl)piperidin-3-yl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione?
The IUPAC name of 2-[6-(trifluoromethyl)piperidin-3-yl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione (CID 82793923) is 2-[6-(trifluoromethyl)piperidin-3-yl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione.
What is the SMILES notation for 2-[6-(trifluoromethyl)piperidin-3-yl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione?
The canonical SMILES for 2-[6-(trifluoromethyl)piperidin-3-yl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione is O=C1C2CCCCC2C(=O)N1C1CCC(C(F)(F)F)NC1.
What is the InChIKey of 2-[6-(trifluoromethyl)piperidin-3-yl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione?
The InChIKey is DCFVLVUAGUZFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O2/c15-14(16,17)11-6-5-8(7-18-11)19-12(20)9-3-1-2-4-10(9)13(19)21/h8-11,18H,1-7H2.
What are the key properties of 2-[6-(trifluoromethyl)piperidin-3-yl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione?
2-[6-(trifluoromethyl)piperidin-3-yl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione has a molecular weight of 304.31 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(trifluoromethyl)piperidin-3-yl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione is sourced from PubChem (CID 82793923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).