1-(2,2-difluoroethyl)-3,5,5-tri(propan-2-yl)imidazolidine-2,4-dione

C14H24F2N2O2 — CID 176613659

IUPAC1-(2,2-difluoroethyl)-3,5,5-tri(propan-2-yl)imidazolidine-2,4-dione
SMILESCC(C)N1C(=O)N(CC(F)F)C(C(C)C)(C(C)C)C1=O
InChIInChI=1S/C14H24F2N2O2/c1-8(2)14(9(3)4)12(19)18(10(5)6)13(20)17(14)7-11(15)16/h8-11H,7H2,1-6H3
InChIKeyIEBZODFPVPKFLA-UHFFFAOYSA-N
MW290.35 g/mol
LogP2.97
Rot. Bonds5

About 1-(2,2-difluoroethyl)-3,5,5-tri(propan-2-yl)imidazolidine-2,4-dione

1-(2,2-difluoroethyl)-3,5,5-tri(propan-2-yl)imidazolidine-2,4-dione (PubChem CID 176613659) has the molecular formula C14H24F2N2O2 and a molecular weight of 290.35 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-3,5,5-tri(propan-2-yl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-3,5,5-tri(propan-2-yl)imidazolidine-2,4-dione
PubChem CID176613659
Molecular FormulaC14H24F2N2O2
Molecular Weight290.35 g/mol
Exact Mass290.18
IUPAC Name1-(2,2-difluoroethyl)-3,5,5-tri(propan-2-yl)imidazolidine-2,4-dione
SMILESCC(C)N1C(=O)N(CC(F)F)C(C(C)C)(C(C)C)C1=O
InChIInChI=1S/C14H24F2N2O2/c1-8(2)14(9(3)4)12(19)18(10(5)6)13(20)17(14)7-11(15)16/h8-11H,7H2,1-6H3
InChIKeyIEBZODFPVPKFLA-UHFFFAOYSA-N
XLogP2.97
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

2-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 3643364
2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 4877302
(5S)-3-[3-[ethyl(2,2,2-trifluoroethyl)amino]propyl]-5-methyl-5-propan-2-ylimidazolidine-2,4-dione
CID 97839456
(5S)-3-(2,2-difluoroethyl)-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 99711356
1-Methyl-3-[4-oxo-4-[4-(2,2,2-trifluoroethyl)piperidin-1-yl]butyl]imidazolidine-2,4-dione
CID 132304110
2-Amino-2-[4-(1,1-difluoropropan-2-yl)-2-oxopyrrolidin-1-yl]butanamide
CID 90899257
Ethane;5-methyl-3,5-di(propan-2-yl)-1-[2-(trifluoromethoxy)ethyl]imidazolidine-2,4-dione
CID 168209963
3,5,5-Tri(propan-2-yl)-1-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
CID 176613619
3,5,5-Tri(propan-2-yl)-1-[2-(trifluoromethoxy)ethyl]imidazolidine-2,4-dione
CID 176613625
2-[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 2115759
2-[(4R)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 2115760
2-[(4S)-4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 2569429

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-3,5,5-tri(propan-2-yl)imidazolidine-2,4-dione?
The IUPAC name of 1-(2,2-difluoroethyl)-3,5,5-tri(propan-2-yl)imidazolidine-2,4-dione (CID 176613659) is 1-(2,2-difluoroethyl)-3,5,5-tri(propan-2-yl)imidazolidine-2,4-dione.
What is the SMILES notation for 1-(2,2-difluoroethyl)-3,5,5-tri(propan-2-yl)imidazolidine-2,4-dione?
The canonical SMILES for 1-(2,2-difluoroethyl)-3,5,5-tri(propan-2-yl)imidazolidine-2,4-dione is CC(C)N1C(=O)N(CC(F)F)C(C(C)C)(C(C)C)C1=O.
What is the InChIKey of 1-(2,2-difluoroethyl)-3,5,5-tri(propan-2-yl)imidazolidine-2,4-dione?
The InChIKey is IEBZODFPVPKFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F2N2O2/c1-8(2)14(9(3)4)12(19)18(10(5)6)13(20)17(14)7-11(15)16/h8-11H,7H2,1-6H3.
What are the key properties of 1-(2,2-difluoroethyl)-3,5,5-tri(propan-2-yl)imidazolidine-2,4-dione?
1-(2,2-difluoroethyl)-3,5,5-tri(propan-2-yl)imidazolidine-2,4-dione has a molecular weight of 290.35 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-3,5,5-tri(propan-2-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 176613659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).