3-(2-fluoropropyl)-1-propan-2-ylimidazolidine-2,4-dione

C9H15FN2O2 — CID 143238821

IUPAC3-(2-fluoropropyl)-1-propan-2-ylimidazolidine-2,4-dione
SMILESCC(F)CN1C(=O)CN(C(C)C)C1=O
InChIInChI=1S/C9H15FN2O2/c1-6(2)11-5-8(13)12(9(11)14)4-7(3)10/h6-7H,4-5H2,1-3H3
InChIKeyCROHWQUFCGBBSS-UHFFFAOYSA-N
MW202.23 g/mol
LogP1.02
Rot. Bonds3

About 3-(2-fluoropropyl)-1-propan-2-ylimidazolidine-2,4-dione

3-(2-fluoropropyl)-1-propan-2-ylimidazolidine-2,4-dione (PubChem CID 143238821) has the molecular formula C9H15FN2O2 and a molecular weight of 202.23 g/mol. Its IUPAC name is 3-(2-fluoropropyl)-1-propan-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(2-fluoropropyl)-1-propan-2-ylimidazolidine-2,4-dione
PubChem CID143238821
Molecular FormulaC9H15FN2O2
Molecular Weight202.23 g/mol
Exact Mass202.11
IUPAC Name3-(2-fluoropropyl)-1-propan-2-ylimidazolidine-2,4-dione
SMILESCC(F)CN1C(=O)CN(C(C)C)C1=O
InChIInChI=1S/C9H15FN2O2/c1-6(2)11-5-8(13)12(9(11)14)4-7(3)10/h6-7H,4-5H2,1-3H3
InChIKeyCROHWQUFCGBBSS-UHFFFAOYSA-N
XLogP1.02
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoropropyl)-1-propan-2-ylimidazolidine-2,4-dione?
The IUPAC name of 3-(2-fluoropropyl)-1-propan-2-ylimidazolidine-2,4-dione (CID 143238821) is 3-(2-fluoropropyl)-1-propan-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for 3-(2-fluoropropyl)-1-propan-2-ylimidazolidine-2,4-dione?
The canonical SMILES for 3-(2-fluoropropyl)-1-propan-2-ylimidazolidine-2,4-dione is CC(F)CN1C(=O)CN(C(C)C)C1=O.
What is the InChIKey of 3-(2-fluoropropyl)-1-propan-2-ylimidazolidine-2,4-dione?
The InChIKey is CROHWQUFCGBBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN2O2/c1-6(2)11-5-8(13)12(9(11)14)4-7(3)10/h6-7H,4-5H2,1-3H3.
What are the key properties of 3-(2-fluoropropyl)-1-propan-2-ylimidazolidine-2,4-dione?
3-(2-fluoropropyl)-1-propan-2-ylimidazolidine-2,4-dione has a molecular weight of 202.23 g/mol, XLogP of 1.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoropropyl)-1-propan-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 143238821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).