3-(3-fluorobutyl)-1-methylimidazolidine-2,4-dione

C8H13FN2O2 — CID 130715487

IUPAC3-(3-fluorobutyl)-1-methylimidazolidine-2,4-dione
SMILESCC(F)CCN1C(=O)CN(C)C1=O
InChIInChI=1S/C8H13FN2O2/c1-6(9)3-4-11-7(12)5-10(2)8(11)13/h6H,3-5H2,1-2H3
InChIKeyCFHFRUZEAZDZFO-UHFFFAOYSA-N
MW188.20 g/mol
LogP0.63
Rot. Bonds3

About 3-(3-fluorobutyl)-1-methylimidazolidine-2,4-dione

3-(3-fluorobutyl)-1-methylimidazolidine-2,4-dione (PubChem CID 130715487) has the molecular formula C8H13FN2O2 and a molecular weight of 188.20 g/mol. Its IUPAC name is 3-(3-fluorobutyl)-1-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(3-fluorobutyl)-1-methylimidazolidine-2,4-dione
PubChem CID130715487
Molecular FormulaC8H13FN2O2
Molecular Weight188.20 g/mol
Exact Mass188.10
IUPAC Name3-(3-fluorobutyl)-1-methylimidazolidine-2,4-dione
SMILESCC(F)CCN1C(=O)CN(C)C1=O
InChIInChI=1S/C8H13FN2O2/c1-6(9)3-4-11-7(12)5-10(2)8(11)13/h6H,3-5H2,1-2H3
InChIKeyCFHFRUZEAZDZFO-UHFFFAOYSA-N
XLogP0.63
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.20
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Propylimidazolidine-2,4,5-trione
CID 181667
1,3-Dimethylimidazolidine-2,4-dione
CID 123410
N-[1-butyl-2,5-dioxo-4-(trifluoromethyl)-4-imidazolidinyl]acetamide
CID 2968525
3-Butylimidazolidine-2,4-dione
CID 568235
1-Butylimidazolidine-2,4-dione
CID 118506
3-Tert-butyl-1-methylimidazolidine-2,4-dione
CID 16093104
1-Butyl-3-methyl-2,4,5-trioxoimidazolidine
CID 544944
Imidazolidinetrione, bis(1-methylethyl)-
CID 10878121
1,3-Diethylhydantoin
CID 14424138
1-Ethyl-3-methylimidazolidine-2,4-dione
CID 21187349
1-Tert-butyl-3-methylimidazolidin-2,4-dione
CID 21862191
1-(3,3-Difluoro-2,2-dimethylpropanoyl)-3-methylimidazolidin-4-one
CID 124291825

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorobutyl)-1-methylimidazolidine-2,4-dione?
The IUPAC name of 3-(3-fluorobutyl)-1-methylimidazolidine-2,4-dione (CID 130715487) is 3-(3-fluorobutyl)-1-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-(3-fluorobutyl)-1-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-(3-fluorobutyl)-1-methylimidazolidine-2,4-dione is CC(F)CCN1C(=O)CN(C)C1=O.
What is the InChIKey of 3-(3-fluorobutyl)-1-methylimidazolidine-2,4-dione?
The InChIKey is CFHFRUZEAZDZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN2O2/c1-6(9)3-4-11-7(12)5-10(2)8(11)13/h6H,3-5H2,1-2H3.
What are the key properties of 3-(3-fluorobutyl)-1-methylimidazolidine-2,4-dione?
3-(3-fluorobutyl)-1-methylimidazolidine-2,4-dione has a molecular weight of 188.20 g/mol, XLogP of 0.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorobutyl)-1-methylimidazolidine-2,4-dione is sourced from PubChem (CID 130715487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).