4,5-difluoro-1,3-bis(2-methoxyethyl)imidazolidin-2-one

C9H16F2N2O3 — CID 139925724

IUPAC4,5-difluoro-1,3-bis(2-methoxyethyl)imidazolidin-2-one
SMILESCOCCN1C(=O)N(CCOC)C(F)C1F
InChIInChI=1S/C9H16F2N2O3/c1-15-5-3-12-7(10)8(11)13(9(12)14)4-6-16-2/h7-8H,3-6H2,1-2H3
InChIKeyWUUQOLISDDNPCD-UHFFFAOYSA-N
MW238.23 g/mol
LogP0.61
Rot. Bonds6

About 4,5-difluoro-1,3-bis(2-methoxyethyl)imidazolidin-2-one

4,5-difluoro-1,3-bis(2-methoxyethyl)imidazolidin-2-one (PubChem CID 139925724) has the molecular formula C9H16F2N2O3 and a molecular weight of 238.23 g/mol. Its IUPAC name is 4,5-difluoro-1,3-bis(2-methoxyethyl)imidazolidin-2-one.

Molecular Properties

Compound Name4,5-difluoro-1,3-bis(2-methoxyethyl)imidazolidin-2-one
PubChem CID139925724
Molecular FormulaC9H16F2N2O3
Molecular Weight238.23 g/mol
Exact Mass238.11
IUPAC Name4,5-difluoro-1,3-bis(2-methoxyethyl)imidazolidin-2-one
SMILESCOCCN1C(=O)N(CCOC)C(F)C1F
InChIInChI=1S/C9H16F2N2O3/c1-15-5-3-12-7(10)8(11)13(9(12)14)4-6-16-2/h7-8H,3-6H2,1-2H3
InChIKeyWUUQOLISDDNPCD-UHFFFAOYSA-N
XLogP0.61
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.23
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-1,3-bis(2-methoxyethyl)-4,5-dimethylimidazolidin-2-one
CID 139925697
4-iodo-1,3-bis(2-methoxyethyl)imidazolidin-2-one
CID 139925717
4-bromo-1,3-bis(2-methoxyethyl)-4,5-dimethylimidazolidin-2-one
CID 139925641
5-hydroxy-1-(2-methoxyethyl)pyrrolidin-2-one
CID 148668115
5,7-bis(3-methoxypropyl)-2,3-dithia-5,7-diazabicyclo[2.2.2]octane-6,8-dione
CID 118597012
methane;1,3,5-tris(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione
CID 159573699
3-(2-methoxyethyl)-1,3a,4,5,6,6a-hexahydrocyclopenta[d]imidazol-2-one
CID 90039232
3-tert-butyl-1-(2-methoxyethyl)imidazolidine-2,4-dione
CID 79282153
1,3,4,6-tetrakis(2-ethoxyethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione
CID 25027466
1-(2-methoxyethyl)-2,3,4,5-tetramethyl-2H-imidazole
CID 175912757
5-amino-3-(2-methoxyethyl)-4-propan-2-yl-4H-imidazol-2-one
CID 79968035
3-cyclopropyl-1-(2-methoxyethyl)-6-methylpiperazine-2,5-dione
CID 64887519

Frequently Asked Questions

What is the IUPAC name of 4,5-difluoro-1,3-bis(2-methoxyethyl)imidazolidin-2-one?
The IUPAC name of 4,5-difluoro-1,3-bis(2-methoxyethyl)imidazolidin-2-one (CID 139925724) is 4,5-difluoro-1,3-bis(2-methoxyethyl)imidazolidin-2-one.
What is the SMILES notation for 4,5-difluoro-1,3-bis(2-methoxyethyl)imidazolidin-2-one?
The canonical SMILES for 4,5-difluoro-1,3-bis(2-methoxyethyl)imidazolidin-2-one is COCCN1C(=O)N(CCOC)C(F)C1F.
What is the InChIKey of 4,5-difluoro-1,3-bis(2-methoxyethyl)imidazolidin-2-one?
The InChIKey is WUUQOLISDDNPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2O3/c1-15-5-3-12-7(10)8(11)13(9(12)14)4-6-16-2/h7-8H,3-6H2,1-2H3.
What are the key properties of 4,5-difluoro-1,3-bis(2-methoxyethyl)imidazolidin-2-one?
4,5-difluoro-1,3-bis(2-methoxyethyl)imidazolidin-2-one has a molecular weight of 238.23 g/mol, XLogP of 0.61, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-difluoro-1,3-bis(2-methoxyethyl)imidazolidin-2-one is sourced from PubChem (CID 139925724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).