1-(6-fluoro-6-methyloctyl)pyrrolidine-2,5-dione

C13H22FNO2 — CID 164683801

IUPAC1-(6-fluoro-6-methyloctyl)pyrrolidine-2,5-dione
SMILESCCC(C)(F)CCCCCN1C(=O)CCC1=O
InChIInChI=1S/C13H22FNO2/c1-3-13(2,14)9-5-4-6-10-15-11(16)7-8-12(15)17/h3-10H2,1-2H3
InChIKeyZCLGEGNYVXKTFG-UHFFFAOYSA-N
MW243.32 g/mol
LogP2.83
Rot. Bonds7

About 1-(6-fluoro-6-methyloctyl)pyrrolidine-2,5-dione

1-(6-fluoro-6-methyloctyl)pyrrolidine-2,5-dione (PubChem CID 164683801) has the molecular formula C13H22FNO2 and a molecular weight of 243.32 g/mol. Its IUPAC name is 1-(6-fluoro-6-methyloctyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(6-fluoro-6-methyloctyl)pyrrolidine-2,5-dione
PubChem CID164683801
Molecular FormulaC13H22FNO2
Molecular Weight243.32 g/mol
Exact Mass243.16
IUPAC Name1-(6-fluoro-6-methyloctyl)pyrrolidine-2,5-dione
SMILESCCC(C)(F)CCCCCN1C(=O)CCC1=O
InChIInChI=1S/C13H22FNO2/c1-3-13(2,14)9-5-4-6-10-15-11(16)7-8-12(15)17/h3-10H2,1-2H3
InChIKeyZCLGEGNYVXKTFG-UHFFFAOYSA-N
XLogP2.83
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.32
LogP ≤ 52.83
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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Related Compounds

1-Nonyl-2,5-pyrrolidinedione
CID 125125
Valproyl-2-pyrrolidinone
CID 129151
1-(Cyclohexylmethyl)pyrrolidine-2,5-dione
CID 86020081
1-(3,7,11,15-Tetramethylhexadecyl)pyrrolidin-2-one
CID 566885
1-Butyl-3-pentylpyrrolidine-2,5-dione
CID 12028442
1-Decylpyrrolidine-2,5-dione
CID 220104
1-[(6R)-7-methyl-6-(trifluoromethyl)octyl]-3-propan-2-ylpyrrolidine-2,5-dione
CID 130232703
3-propan-2-yl-1-[(6R)-7,7,7-trifluoro-6-methylheptyl]pyrrolidine-2,5-dione
CID 130233326
1-[7-Methyl-6-(trifluoromethyl)octyl]-3-propan-2-ylpyrrolidine-2,5-dione
CID 130233343
3-Methyl-1-[6-(trifluoromethyl)octyl]pyrrolidine-2,5-dione
CID 130252196
3-Methyl-1-(7,7,7-trifluoro-6-methylheptyl)pyrrolidine-2,5-dione
CID 130252225
3-methyl-1-[(6R)-7,7,7-trifluoro-6-methylheptyl]pyrrolidine-2,5-dione
CID 130252259

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-6-methyloctyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(6-fluoro-6-methyloctyl)pyrrolidine-2,5-dione (CID 164683801) is 1-(6-fluoro-6-methyloctyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(6-fluoro-6-methyloctyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(6-fluoro-6-methyloctyl)pyrrolidine-2,5-dione is CCC(C)(F)CCCCCN1C(=O)CCC1=O.
What is the InChIKey of 1-(6-fluoro-6-methyloctyl)pyrrolidine-2,5-dione?
The InChIKey is ZCLGEGNYVXKTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22FNO2/c1-3-13(2,14)9-5-4-6-10-15-11(16)7-8-12(15)17/h3-10H2,1-2H3.
What are the key properties of 1-(6-fluoro-6-methyloctyl)pyrrolidine-2,5-dione?
1-(6-fluoro-6-methyloctyl)pyrrolidine-2,5-dione has a molecular weight of 243.32 g/mol, XLogP of 2.83, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-6-methyloctyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 164683801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).