1-[7-methyl-6-(trifluoromethyl)octyl]-3-propan-2-ylpyrrolidine-2,5-dione

C17H28F3NO2 — CID 130233343

IUPAC1-[7-methyl-6-(trifluoromethyl)octyl]-3-propan-2-ylpyrrolidine-2,5-dione
SMILESCC(C)C1CC(=O)N(CCCCCC(C(C)C)C(F)(F)F)C1=O
InChIInChI=1S/C17H28F3NO2/c1-11(2)13-10-15(22)21(16(13)23)9-7-5-6-8-14(12(3)4)17(18,19)20/h11-14H,5-10H2,1-4H3
InChIKeyGOIWSNHBHXGJRW-UHFFFAOYSA-N
MW335.41 g/mol
LogP4.41
Rot. Bonds8

About 1-[7-methyl-6-(trifluoromethyl)octyl]-3-propan-2-ylpyrrolidine-2,5-dione

1-[7-methyl-6-(trifluoromethyl)octyl]-3-propan-2-ylpyrrolidine-2,5-dione (PubChem CID 130233343) has the molecular formula C17H28F3NO2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 1-[7-methyl-6-(trifluoromethyl)octyl]-3-propan-2-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[7-methyl-6-(trifluoromethyl)octyl]-3-propan-2-ylpyrrolidine-2,5-dione
PubChem CID130233343
Molecular FormulaC17H28F3NO2
Molecular Weight335.41 g/mol
Exact Mass335.21
IUPAC Name1-[7-methyl-6-(trifluoromethyl)octyl]-3-propan-2-ylpyrrolidine-2,5-dione
SMILESCC(C)C1CC(=O)N(CCCCCC(C(C)C)C(F)(F)F)C1=O
InChIInChI=1S/C17H28F3NO2/c1-11(2)13-10-15(22)21(16(13)23)9-7-5-6-8-14(12(3)4)17(18,19)20/h11-14H,5-10H2,1-4H3
InChIKeyGOIWSNHBHXGJRW-UHFFFAOYSA-N
XLogP4.41
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[7-methyl-6-(trifluoromethyl)octyl]-3-propan-2-ylpyrrolidine-2,5-dione?
The IUPAC name of 1-[7-methyl-6-(trifluoromethyl)octyl]-3-propan-2-ylpyrrolidine-2,5-dione (CID 130233343) is 1-[7-methyl-6-(trifluoromethyl)octyl]-3-propan-2-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[7-methyl-6-(trifluoromethyl)octyl]-3-propan-2-ylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[7-methyl-6-(trifluoromethyl)octyl]-3-propan-2-ylpyrrolidine-2,5-dione is CC(C)C1CC(=O)N(CCCCCC(C(C)C)C(F)(F)F)C1=O.
What is the InChIKey of 1-[7-methyl-6-(trifluoromethyl)octyl]-3-propan-2-ylpyrrolidine-2,5-dione?
The InChIKey is GOIWSNHBHXGJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28F3NO2/c1-11(2)13-10-15(22)21(16(13)23)9-7-5-6-8-14(12(3)4)17(18,19)20/h11-14H,5-10H2,1-4H3.
What are the key properties of 1-[7-methyl-6-(trifluoromethyl)octyl]-3-propan-2-ylpyrrolidine-2,5-dione?
1-[7-methyl-6-(trifluoromethyl)octyl]-3-propan-2-ylpyrrolidine-2,5-dione has a molecular weight of 335.41 g/mol, XLogP of 4.41, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-methyl-6-(trifluoromethyl)octyl]-3-propan-2-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 130233343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).