4,4,5-trifluoro-1,3-bis(2-methoxypentan-3-yl)imidazolidin-2-one

C15H27F3N2O3 — CID 139925687

IUPAC4,4,5-trifluoro-1,3-bis(2-methoxypentan-3-yl)imidazolidin-2-one
SMILESCCC(C(C)OC)N1C(=O)N(C(CC)C(C)OC)C(F)(F)C1F
InChIInChI=1S/C15H27F3N2O3/c1-7-11(9(3)22-5)19-13(16)15(17,18)20(14(19)21)12(8-2)10(4)23-6/h9-13H,7-8H2,1-6H3
InChIKeyQUFSRIFTZDXJCT-UHFFFAOYSA-N
MW340.39 g/mol
LogP3.24
Rot. Bonds8

About 4,4,5-trifluoro-1,3-bis(2-methoxypentan-3-yl)imidazolidin-2-one

4,4,5-trifluoro-1,3-bis(2-methoxypentan-3-yl)imidazolidin-2-one (PubChem CID 139925687) has the molecular formula C15H27F3N2O3 and a molecular weight of 340.39 g/mol. Its IUPAC name is 4,4,5-trifluoro-1,3-bis(2-methoxypentan-3-yl)imidazolidin-2-one.

Molecular Properties

Compound Name4,4,5-trifluoro-1,3-bis(2-methoxypentan-3-yl)imidazolidin-2-one
PubChem CID139925687
Molecular FormulaC15H27F3N2O3
Molecular Weight340.39 g/mol
Exact Mass340.20
IUPAC Name4,4,5-trifluoro-1,3-bis(2-methoxypentan-3-yl)imidazolidin-2-one
SMILESCCC(C(C)OC)N1C(=O)N(C(CC)C(C)OC)C(F)(F)C1F
InChIInChI=1S/C15H27F3N2O3/c1-7-11(9(3)22-5)19-13(16)15(17,18)20(14(19)21)12(8-2)10(4)23-6/h9-13H,7-8H2,1-6H3
InChIKeyQUFSRIFTZDXJCT-UHFFFAOYSA-N
XLogP3.24
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4,4,5-trifluoro-1,3-bis(2-methoxypentan-3-yl)imidazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-Bis(1-fluoro-2-methoxyethyl)-4,5-dipropylimidazolidin-2-one
CID 139925592
1-(4-Fluoro-1-methoxy-3-methylbutan-2-yl)-3-(2-methoxyethyl)imidazolidin-2-one
CID 139925596
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
1-(1-Fluoro-3-methoxy-2-methylpropan-2-yl)-3-(2-methoxyethyl)-4-methylimidazolidin-2-one
CID 139925626
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
4-Fluoro-3-(2-methoxyethyl)-1-(1-methoxypropan-2-yl)imidazolidin-2-one
CID 139925648
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
4,4-Dibromo-1,3-bis(4,4,4-trifluoro-1-methoxybutan-2-yl)imidazolidin-2-one
CID 139925668

Frequently Asked Questions

What is the IUPAC name of 4,4,5-trifluoro-1,3-bis(2-methoxypentan-3-yl)imidazolidin-2-one?
The IUPAC name of 4,4,5-trifluoro-1,3-bis(2-methoxypentan-3-yl)imidazolidin-2-one (CID 139925687) is 4,4,5-trifluoro-1,3-bis(2-methoxypentan-3-yl)imidazolidin-2-one.
What is the SMILES notation for 4,4,5-trifluoro-1,3-bis(2-methoxypentan-3-yl)imidazolidin-2-one?
The canonical SMILES for 4,4,5-trifluoro-1,3-bis(2-methoxypentan-3-yl)imidazolidin-2-one is CCC(C(C)OC)N1C(=O)N(C(CC)C(C)OC)C(F)(F)C1F.
What is the InChIKey of 4,4,5-trifluoro-1,3-bis(2-methoxypentan-3-yl)imidazolidin-2-one?
The InChIKey is QUFSRIFTZDXJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3N2O3/c1-7-11(9(3)22-5)19-13(16)15(17,18)20(14(19)21)12(8-2)10(4)23-6/h9-13H,7-8H2,1-6H3.
What are the key properties of 4,4,5-trifluoro-1,3-bis(2-methoxypentan-3-yl)imidazolidin-2-one?
4,4,5-trifluoro-1,3-bis(2-methoxypentan-3-yl)imidazolidin-2-one has a molecular weight of 340.39 g/mol, XLogP of 3.24, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5-trifluoro-1,3-bis(2-methoxypentan-3-yl)imidazolidin-2-one is sourced from PubChem (CID 139925687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).