3-(2-fluoroethyl)-5,5-dimethylimidazolidine-2,4-dione

C7H11FN2O2 — CID 131132087

IUPAC3-(2-fluoroethyl)-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CCF)C1=O
InChIInChI=1S/C7H11FN2O2/c1-7(2)5(11)10(4-3-8)6(12)9-7/h3-4H2,1-2H3,(H,9,12)
InChIKeyHAVNPGBOXACRPU-UHFFFAOYSA-N
MW174.17 g/mol
LogP0.29
Rot. Bonds2

About 3-(2-fluoroethyl)-5,5-dimethylimidazolidine-2,4-dione

3-(2-fluoroethyl)-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 131132087) has the molecular formula C7H11FN2O2 and a molecular weight of 174.17 g/mol. Its IUPAC name is 3-(2-fluoroethyl)-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(2-fluoroethyl)-5,5-dimethylimidazolidine-2,4-dione
PubChem CID131132087
Molecular FormulaC7H11FN2O2
Molecular Weight174.17 g/mol
Exact Mass174.08
IUPAC Name3-(2-fluoroethyl)-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CCF)C1=O
InChIInChI=1S/C7H11FN2O2/c1-7(2)5(11)10(4-3-8)6(12)9-7/h3-4H2,1-2H3,(H,9,12)
InChIKeyHAVNPGBOXACRPU-UHFFFAOYSA-N
XLogP0.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.17
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-aminoethyl)-5,5-dimethylimidazolidine-2,4-dione;hydrochloride
CID 14008501
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanal
CID 63040568
3-(bromomethyl)-5,5-dimethylimidazolidine-2,4-dione
CID 12847944
3-[2-(ethylamino)ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 61387578
5-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)pentanoic acid
CID 28971868
5,5-dimethyl-3-[2-(propylamino)ethyl]imidazolidine-2,4-dione
CID 61387575
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-methylpropanamide
CID 60656567
3-(5-chloro-3-oxopentyl)-5,5-dimethylimidazolidine-2,4-dione
CID 21493759
butyl-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]-dimethylazanium
CID 158812623
3-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethylamino]propanoic acid
CID 43466330
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl-dimethyl-prop-2-enylazanium
CID 157049530
3-[2-(1,2-dihydroimidazol-3-yl)ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 146519519

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoroethyl)-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-(2-fluoroethyl)-5,5-dimethylimidazolidine-2,4-dione (CID 131132087) is 3-(2-fluoroethyl)-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-(2-fluoroethyl)-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-(2-fluoroethyl)-5,5-dimethylimidazolidine-2,4-dione is CC1(C)NC(=O)N(CCF)C1=O.
What is the InChIKey of 3-(2-fluoroethyl)-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is HAVNPGBOXACRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN2O2/c1-7(2)5(11)10(4-3-8)6(12)9-7/h3-4H2,1-2H3,(H,9,12).
What are the key properties of 3-(2-fluoroethyl)-5,5-dimethylimidazolidine-2,4-dione?
3-(2-fluoroethyl)-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 174.17 g/mol, XLogP of 0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoroethyl)-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 131132087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).