1-(2-cyclopropylpropyl)-3-[(2,2-difluorocyclopropyl)methyl]imidazolidine-2,4-dione

C13H18F2N2O2 — CID 146100736

IUPAC1-(2-cyclopropylpropyl)-3-[(2,2-difluorocyclopropyl)methyl]imidazolidine-2,4-dione
SMILESCC(CN1CC(=O)N(CC2CC2(F)F)C1=O)C1CC1
InChIInChI=1S/C13H18F2N2O2/c1-8(9-2-3-9)5-16-7-11(18)17(12(16)19)6-10-4-13(10,14)15/h8-10H,2-7H2,1H3
InChIKeyGARAFNOYHRONEN-UHFFFAOYSA-N
MW272.29 g/mol
LogP1.95
Rot. Bonds5

About 1-(2-cyclopropylpropyl)-3-[(2,2-difluorocyclopropyl)methyl]imidazolidine-2,4-dione

1-(2-cyclopropylpropyl)-3-[(2,2-difluorocyclopropyl)methyl]imidazolidine-2,4-dione (PubChem CID 146100736) has the molecular formula C13H18F2N2O2 and a molecular weight of 272.29 g/mol. Its IUPAC name is 1-(2-cyclopropylpropyl)-3-[(2,2-difluorocyclopropyl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-(2-cyclopropylpropyl)-3-[(2,2-difluorocyclopropyl)methyl]imidazolidine-2,4-dione
PubChem CID146100736
Molecular FormulaC13H18F2N2O2
Molecular Weight272.29 g/mol
Exact Mass272.13
IUPAC Name1-(2-cyclopropylpropyl)-3-[(2,2-difluorocyclopropyl)methyl]imidazolidine-2,4-dione
SMILESCC(CN1CC(=O)N(CC2CC2(F)F)C1=O)C1CC1
InChIInChI=1S/C13H18F2N2O2/c1-8(9-2-3-9)5-16-7-11(18)17(12(16)19)6-10-4-13(10,14)15/h8-10H,2-7H2,1H3
InChIKeyGARAFNOYHRONEN-UHFFFAOYSA-N
XLogP1.95
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.29
LogP ≤ 51.95
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 1-(2-cyclopropylpropyl)-3-[(2,2-difluorocyclopropyl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 1-(2-cyclopropylpropyl)-3-[(2,2-difluorocyclopropyl)methyl]imidazolidine-2,4-dione (CID 146100736) is 1-(2-cyclopropylpropyl)-3-[(2,2-difluorocyclopropyl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-(2-cyclopropylpropyl)-3-[(2,2-difluorocyclopropyl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-(2-cyclopropylpropyl)-3-[(2,2-difluorocyclopropyl)methyl]imidazolidine-2,4-dione is CC(CN1CC(=O)N(CC2CC2(F)F)C1=O)C1CC1.
What is the InChIKey of 1-(2-cyclopropylpropyl)-3-[(2,2-difluorocyclopropyl)methyl]imidazolidine-2,4-dione?
The InChIKey is GARAFNOYHRONEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O2/c1-8(9-2-3-9)5-16-7-11(18)17(12(16)19)6-10-4-13(10,14)15/h8-10H,2-7H2,1H3.
What are the key properties of 1-(2-cyclopropylpropyl)-3-[(2,2-difluorocyclopropyl)methyl]imidazolidine-2,4-dione?
1-(2-cyclopropylpropyl)-3-[(2,2-difluorocyclopropyl)methyl]imidazolidine-2,4-dione has a molecular weight of 272.29 g/mol, XLogP of 1.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropylpropyl)-3-[(2,2-difluorocyclopropyl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 146100736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).