2-propan-2-yl-3-(5,5,5-trifluoropentyl)imidazolidin-4-one

C11H19F3N2O — CID 83260560

IUPAC2-propan-2-yl-3-(5,5,5-trifluoropentyl)imidazolidin-4-one
SMILESCC(C)C1NCC(=O)N1CCCCC(F)(F)F
InChIInChI=1S/C11H19F3N2O/c1-8(2)10-15-7-9(17)16(10)6-4-3-5-11(12,13)14/h8,10,15H,3-7H2,1-2H3
InChIKeyQBSIDYVKIUPION-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.13
Rot. Bonds5

About 2-propan-2-yl-3-(5,5,5-trifluoropentyl)imidazolidin-4-one

2-propan-2-yl-3-(5,5,5-trifluoropentyl)imidazolidin-4-one (PubChem CID 83260560) has the molecular formula C11H19F3N2O and a molecular weight of 252.28 g/mol. Its IUPAC name is 2-propan-2-yl-3-(5,5,5-trifluoropentyl)imidazolidin-4-one.

Molecular Properties

Compound Name2-propan-2-yl-3-(5,5,5-trifluoropentyl)imidazolidin-4-one
PubChem CID83260560
Molecular FormulaC11H19F3N2O
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC Name2-propan-2-yl-3-(5,5,5-trifluoropentyl)imidazolidin-4-one
SMILESCC(C)C1NCC(=O)N1CCCCC(F)(F)F
InChIInChI=1S/C11H19F3N2O/c1-8(2)10-15-7-9(17)16(10)6-4-3-5-11(12,13)14/h8,10,15H,3-7H2,1-2H3
InChIKeyQBSIDYVKIUPION-UHFFFAOYSA-N
XLogP2.13
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]acetamide
CID 3238722
3-methyl-N-[1-(2-methylpropyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]butanamide
CID 45105963
3-methyl-N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]pyrrolidine-1-carboxamide
CID 71868037
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
3-[2-[3-(Trifluoromethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 42948772
2-[cyclobutylmethyl(2,2,2-trifluoroethyl)amino]-N-(methylcarbamoyl)acetamide
CID 71861814
1-[2-[4-(Trifluoromethyl)piperidin-1-yl]acetyl]imidazolidin-2-one
CID 71986503
1-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-3-(2,2,2-trifluoroethyl)urea
CID 72042109
3-(cyclopropylmethyl)-N-ethyl-4-oxoimidazolidine-1-carboxamide
CID 126807710
3-cyclopropyl-4-oxo-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]imidazolidine-1-carboxamide
CID 136581374
N-[1-(2-amino-2-oxoethyl)pyrrolidin-2-yl]-2,2,2-trifluoroacetamide
CID 54051423

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-3-(5,5,5-trifluoropentyl)imidazolidin-4-one?
The IUPAC name of 2-propan-2-yl-3-(5,5,5-trifluoropentyl)imidazolidin-4-one (CID 83260560) is 2-propan-2-yl-3-(5,5,5-trifluoropentyl)imidazolidin-4-one.
What is the SMILES notation for 2-propan-2-yl-3-(5,5,5-trifluoropentyl)imidazolidin-4-one?
The canonical SMILES for 2-propan-2-yl-3-(5,5,5-trifluoropentyl)imidazolidin-4-one is CC(C)C1NCC(=O)N1CCCCC(F)(F)F.
What is the InChIKey of 2-propan-2-yl-3-(5,5,5-trifluoropentyl)imidazolidin-4-one?
The InChIKey is QBSIDYVKIUPION-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O/c1-8(2)10-15-7-9(17)16(10)6-4-3-5-11(12,13)14/h8,10,15H,3-7H2,1-2H3.
What are the key properties of 2-propan-2-yl-3-(5,5,5-trifluoropentyl)imidazolidin-4-one?
2-propan-2-yl-3-(5,5,5-trifluoropentyl)imidazolidin-4-one has a molecular weight of 252.28 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-3-(5,5,5-trifluoropentyl)imidazolidin-4-one is sourced from PubChem (CID 83260560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).