1-(2-methoxypentan-3-yl)-3-[2-(trifluoromethoxy)ethyl]-4-(trifluoromethyl)imidazolidin-2-one

C13H20F6N2O3 — CID 139925666

IUPAC1-(2-methoxypentan-3-yl)-3-[2-(trifluoromethoxy)ethyl]-4-(trifluoromethyl)imidazolidin-2-one
SMILESCCC(C(C)OC)N1CC(C(F)(F)F)N(CCOC(F)(F)F)C1=O
InChIInChI=1S/C13H20F6N2O3/c1-4-9(8(2)23-3)21-7-10(12(14,15)16)20(11(21)22)5-6-24-13(17,18)19/h8-10H,4-7H2,1-3H3
InChIKeyJIAAXJMEGGPXDI-UHFFFAOYSA-N
MW366.30 g/mol
LogP3.00
Rot. Bonds7

About 1-(2-methoxypentan-3-yl)-3-[2-(trifluoromethoxy)ethyl]-4-(trifluoromethyl)imidazolidin-2-one

1-(2-methoxypentan-3-yl)-3-[2-(trifluoromethoxy)ethyl]-4-(trifluoromethyl)imidazolidin-2-one (PubChem CID 139925666) has the molecular formula C13H20F6N2O3 and a molecular weight of 366.30 g/mol. Its IUPAC name is 1-(2-methoxypentan-3-yl)-3-[2-(trifluoromethoxy)ethyl]-4-(trifluoromethyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(2-methoxypentan-3-yl)-3-[2-(trifluoromethoxy)ethyl]-4-(trifluoromethyl)imidazolidin-2-one
PubChem CID139925666
Molecular FormulaC13H20F6N2O3
Molecular Weight366.30 g/mol
Exact Mass366.14
IUPAC Name1-(2-methoxypentan-3-yl)-3-[2-(trifluoromethoxy)ethyl]-4-(trifluoromethyl)imidazolidin-2-one
SMILESCCC(C(C)OC)N1CC(C(F)(F)F)N(CCOC(F)(F)F)C1=O
InChIInChI=1S/C13H20F6N2O3/c1-4-9(8(2)23-3)21-7-10(12(14,15)16)20(11(21)22)5-6-24-13(17,18)19/h8-10H,4-7H2,1-3H3
InChIKeyJIAAXJMEGGPXDI-UHFFFAOYSA-N
XLogP3.00
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.30
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2-methoxypentan-3-yl)-3-[2-(trifluoromethoxy)ethyl]-4-(trifluoromethyl)imidazolidin-2-one with MolForge

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Related Compounds

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
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
4,4-Dibromo-1,3-bis(4,4,4-trifluoro-1-methoxybutan-2-yl)imidazolidin-2-one
CID 139925668
4-Methyl-1,3-bis[2-(trifluoromethoxy)ethyl]imidazolidin-2-one
CID 139925670
4,4-Diethyl-1,3-bis[2-(trifluoromethoxy)ethyl]imidazolidin-2-one
CID 139925679
4,4,5-Trifluoro-1,3-bis(2-methoxypentan-3-yl)imidazolidin-2-one
CID 139925687
1,3-Bis[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]imidazolidin-2-one
CID 139925692

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxypentan-3-yl)-3-[2-(trifluoromethoxy)ethyl]-4-(trifluoromethyl)imidazolidin-2-one?
The IUPAC name of 1-(2-methoxypentan-3-yl)-3-[2-(trifluoromethoxy)ethyl]-4-(trifluoromethyl)imidazolidin-2-one (CID 139925666) is 1-(2-methoxypentan-3-yl)-3-[2-(trifluoromethoxy)ethyl]-4-(trifluoromethyl)imidazolidin-2-one.
What is the SMILES notation for 1-(2-methoxypentan-3-yl)-3-[2-(trifluoromethoxy)ethyl]-4-(trifluoromethyl)imidazolidin-2-one?
The canonical SMILES for 1-(2-methoxypentan-3-yl)-3-[2-(trifluoromethoxy)ethyl]-4-(trifluoromethyl)imidazolidin-2-one is CCC(C(C)OC)N1CC(C(F)(F)F)N(CCOC(F)(F)F)C1=O.
What is the InChIKey of 1-(2-methoxypentan-3-yl)-3-[2-(trifluoromethoxy)ethyl]-4-(trifluoromethyl)imidazolidin-2-one?
The InChIKey is JIAAXJMEGGPXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F6N2O3/c1-4-9(8(2)23-3)21-7-10(12(14,15)16)20(11(21)22)5-6-24-13(17,18)19/h8-10H,4-7H2,1-3H3.
What are the key properties of 1-(2-methoxypentan-3-yl)-3-[2-(trifluoromethoxy)ethyl]-4-(trifluoromethyl)imidazolidin-2-one?
1-(2-methoxypentan-3-yl)-3-[2-(trifluoromethoxy)ethyl]-4-(trifluoromethyl)imidazolidin-2-one has a molecular weight of 366.30 g/mol, XLogP of 3.00, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxypentan-3-yl)-3-[2-(trifluoromethoxy)ethyl]-4-(trifluoromethyl)imidazolidin-2-one is sourced from PubChem (CID 139925666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).