1-(2-ethoxyethyl)-4,4,5,5-tetrafluoro-3-(4-methoxyhexan-3-yl)imidazolidin-2-one

C14H24F4N2O3 — CID 139925696

IUPAC1-(2-ethoxyethyl)-4,4,5,5-tetrafluoro-3-(4-methoxyhexan-3-yl)imidazolidin-2-one
SMILESCCOCCN1C(=O)N(C(CC)C(CC)OC)C(F)(F)C1(F)F
InChIInChI=1S/C14H24F4N2O3/c1-5-10(11(6-2)22-4)20-12(21)19(8-9-23-7-3)13(15,16)14(20,17)18/h10-11H,5-9H2,1-4H3
InChIKeyKTHMTWKVBHPJNT-UHFFFAOYSA-N
MW344.35 g/mol
LogP3.15
Rot. Bonds9

About 1-(2-ethoxyethyl)-4,4,5,5-tetrafluoro-3-(4-methoxyhexan-3-yl)imidazolidin-2-one

1-(2-ethoxyethyl)-4,4,5,5-tetrafluoro-3-(4-methoxyhexan-3-yl)imidazolidin-2-one (PubChem CID 139925696) has the molecular formula C14H24F4N2O3 and a molecular weight of 344.35 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-4,4,5,5-tetrafluoro-3-(4-methoxyhexan-3-yl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-4,4,5,5-tetrafluoro-3-(4-methoxyhexan-3-yl)imidazolidin-2-one
PubChem CID139925696
Molecular FormulaC14H24F4N2O3
Molecular Weight344.35 g/mol
Exact Mass344.17
IUPAC Name1-(2-ethoxyethyl)-4,4,5,5-tetrafluoro-3-(4-methoxyhexan-3-yl)imidazolidin-2-one
SMILESCCOCCN1C(=O)N(C(CC)C(CC)OC)C(F)(F)C1(F)F
InChIInChI=1S/C14H24F4N2O3/c1-5-10(11(6-2)22-4)20-12(21)19(8-9-23-7-3)13(15,16)14(20,17)18/h10-11H,5-9H2,1-4H3
InChIKeyKTHMTWKVBHPJNT-UHFFFAOYSA-N
XLogP3.15
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.35
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,3-Bis(1-fluoro-2-methoxyethyl)-4,5-dipropylimidazolidin-2-one
CID 139925592
1-(2-Ethyl-2-methoxybutyl)-3-(2-methoxyethyl)-4-(trifluoromethyl)imidazolidin-2-one
CID 139925602
4,5-Difluoro-1,3-bis(2-methoxybutyl)imidazolidin-2-one
CID 139925623
4-Iodo-1,3-bis(4,4,4-trifluoro-1-methoxybutan-2-yl)imidazolidin-2-one
CID 139925637
4,4-Difluoro-3-(4-methoxyhexan-3-yl)-1-(2-methoxy-4-methylpentan-3-yl)imidazolidin-2-one
CID 139925638
1-(2-Methoxyethyl)-3-(4,4,4-trifluoro-1-methoxybutan-2-yl)imidazolidin-2-one
CID 139925654
1-(2-Methoxyethyl)-3-[1,1,1-trifluoro-3-(trifluoromethoxy)butan-2-yl]imidazolidin-2-one
CID 139925658
1-(2-Methoxypentan-3-yl)-3-[2-(trifluoromethoxy)ethyl]-4-(trifluoromethyl)imidazolidin-2-one
CID 139925666
4-Methyl-1,3-bis[2-(trifluoromethoxy)ethyl]imidazolidin-2-one
CID 139925670
4,4,5-Trifluoro-1,3-bis(2-methoxypentan-3-yl)imidazolidin-2-one
CID 139925687
1,3-Bis(2-methoxypropyl)-4,4,5-tris(1,1,2,2,2-pentafluoroethyl)imidazolidin-2-one
CID 139925698
1,3-Bis(2-methoxybutyl)-4,4-bis(trifluoromethyl)imidazolidin-2-one
CID 139925734

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-4,4,5,5-tetrafluoro-3-(4-methoxyhexan-3-yl)imidazolidin-2-one?
The IUPAC name of 1-(2-ethoxyethyl)-4,4,5,5-tetrafluoro-3-(4-methoxyhexan-3-yl)imidazolidin-2-one (CID 139925696) is 1-(2-ethoxyethyl)-4,4,5,5-tetrafluoro-3-(4-methoxyhexan-3-yl)imidazolidin-2-one.
What is the SMILES notation for 1-(2-ethoxyethyl)-4,4,5,5-tetrafluoro-3-(4-methoxyhexan-3-yl)imidazolidin-2-one?
The canonical SMILES for 1-(2-ethoxyethyl)-4,4,5,5-tetrafluoro-3-(4-methoxyhexan-3-yl)imidazolidin-2-one is CCOCCN1C(=O)N(C(CC)C(CC)OC)C(F)(F)C1(F)F.
What is the InChIKey of 1-(2-ethoxyethyl)-4,4,5,5-tetrafluoro-3-(4-methoxyhexan-3-yl)imidazolidin-2-one?
The InChIKey is KTHMTWKVBHPJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F4N2O3/c1-5-10(11(6-2)22-4)20-12(21)19(8-9-23-7-3)13(15,16)14(20,17)18/h10-11H,5-9H2,1-4H3.
What are the key properties of 1-(2-ethoxyethyl)-4,4,5,5-tetrafluoro-3-(4-methoxyhexan-3-yl)imidazolidin-2-one?
1-(2-ethoxyethyl)-4,4,5,5-tetrafluoro-3-(4-methoxyhexan-3-yl)imidazolidin-2-one has a molecular weight of 344.35 g/mol, XLogP of 3.15, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-4,4,5,5-tetrafluoro-3-(4-methoxyhexan-3-yl)imidazolidin-2-one is sourced from PubChem (CID 139925696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).