2,2-difluoro-1-(2-methoxyethyl)-3-(4,4,4-trifluoro-1-methoxybutan-2-yl)imidazolidine

C11H19F5N2O2 — CID 139932697

IUPAC2,2-difluoro-1-(2-methoxyethyl)-3-(4,4,4-trifluoro-1-methoxybutan-2-yl)imidazolidine
SMILESCOCCN1CCN(C(COC)CC(F)(F)F)C1(F)F
InChIInChI=1S/C11H19F5N2O2/c1-19-6-5-17-3-4-18(11(17,15)16)9(8-20-2)7-10(12,13)14/h9H,3-8H2,1-2H3
InChIKeyYMNQVAKHRCLGBZ-UHFFFAOYSA-N
MW306.28 g/mol
LogP1.77
Rot. Bonds7

About 2,2-difluoro-1-(2-methoxyethyl)-3-(4,4,4-trifluoro-1-methoxybutan-2-yl)imidazolidine

2,2-difluoro-1-(2-methoxyethyl)-3-(4,4,4-trifluoro-1-methoxybutan-2-yl)imidazolidine (PubChem CID 139932697) has the molecular formula C11H19F5N2O2 and a molecular weight of 306.28 g/mol. Its IUPAC name is 2,2-difluoro-1-(2-methoxyethyl)-3-(4,4,4-trifluoro-1-methoxybutan-2-yl)imidazolidine.

Molecular Properties

Compound Name2,2-difluoro-1-(2-methoxyethyl)-3-(4,4,4-trifluoro-1-methoxybutan-2-yl)imidazolidine
PubChem CID139932697
Molecular FormulaC11H19F5N2O2
Molecular Weight306.28 g/mol
Exact Mass306.14
IUPAC Name2,2-difluoro-1-(2-methoxyethyl)-3-(4,4,4-trifluoro-1-methoxybutan-2-yl)imidazolidine
SMILESCOCCN1CCN(C(COC)CC(F)(F)F)C1(F)F
InChIInChI=1S/C11H19F5N2O2/c1-19-6-5-17-3-4-18(11(17,15)16)9(8-20-2)7-10(12,13)14/h9H,3-8H2,1-2H3
InChIKeyYMNQVAKHRCLGBZ-UHFFFAOYSA-N
XLogP1.77
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.28
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-Iodo-1,3-bis(4,4,4-trifluoro-1-methoxybutan-2-yl)imidazolidin-2-one
CID 139925637
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
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
4,4,5,5-Tetrafluoro-1,3-bis[2-(trifluoromethoxy)pentan-3-yl]imidazolidin-2-one
CID 139925740
2,2-Difluoro-1-(2-methoxyethyl)-3-propylimidazolidine
CID 139932589
2,2-Difluoro-1,3-bis[2-(fluoromethoxy)ethyl]imidazolidine
CID 139932594
2,2-Difluoro-1-(2-methoxyethyl)-3-(2-methoxy-2-methylpropyl)imidazolidine
CID 139932595
2,2-Difluoro-1-(2-methoxyethyl)-3-[2-(trifluoromethoxy)propyl]imidazolidine
CID 139932596

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-(2-methoxyethyl)-3-(4,4,4-trifluoro-1-methoxybutan-2-yl)imidazolidine?
The IUPAC name of 2,2-difluoro-1-(2-methoxyethyl)-3-(4,4,4-trifluoro-1-methoxybutan-2-yl)imidazolidine (CID 139932697) is 2,2-difluoro-1-(2-methoxyethyl)-3-(4,4,4-trifluoro-1-methoxybutan-2-yl)imidazolidine.
What is the SMILES notation for 2,2-difluoro-1-(2-methoxyethyl)-3-(4,4,4-trifluoro-1-methoxybutan-2-yl)imidazolidine?
The canonical SMILES for 2,2-difluoro-1-(2-methoxyethyl)-3-(4,4,4-trifluoro-1-methoxybutan-2-yl)imidazolidine is COCCN1CCN(C(COC)CC(F)(F)F)C1(F)F.
What is the InChIKey of 2,2-difluoro-1-(2-methoxyethyl)-3-(4,4,4-trifluoro-1-methoxybutan-2-yl)imidazolidine?
The InChIKey is YMNQVAKHRCLGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F5N2O2/c1-19-6-5-17-3-4-18(11(17,15)16)9(8-20-2)7-10(12,13)14/h9H,3-8H2,1-2H3.
What are the key properties of 2,2-difluoro-1-(2-methoxyethyl)-3-(4,4,4-trifluoro-1-methoxybutan-2-yl)imidazolidine?
2,2-difluoro-1-(2-methoxyethyl)-3-(4,4,4-trifluoro-1-methoxybutan-2-yl)imidazolidine has a molecular weight of 306.28 g/mol, XLogP of 1.77, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-(2-methoxyethyl)-3-(4,4,4-trifluoro-1-methoxybutan-2-yl)imidazolidine is sourced from PubChem (CID 139932697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).