2-propan-2-yl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one

C10H17F3N2O — CID 83259769

IUPAC2-propan-2-yl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one
SMILESCC(C)C1NCC(=O)N1CCCC(F)(F)F
InChIInChI=1S/C10H17F3N2O/c1-7(2)9-14-6-8(16)15(9)5-3-4-10(11,12)13/h7,9,14H,3-6H2,1-2H3
InChIKeyIRSWMHQPHOPQJK-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.74
Rot. Bonds4

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

2-propan-2-yl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one (PubChem CID 83259769) has the molecular formula C10H17F3N2O and a molecular weight of 238.25 g/mol. Its IUPAC name is 2-propan-2-yl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one.

Molecular Properties

Compound Name2-propan-2-yl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one
PubChem CID83259769
Molecular FormulaC10H17F3N2O
Molecular Weight238.25 g/mol
Exact Mass238.13
IUPAC Name2-propan-2-yl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one
SMILESCC(C)C1NCC(=O)N1CCCC(F)(F)F
InChIInChI=1S/C10H17F3N2O/c1-7(2)9-14-6-8(16)15(9)5-3-4-10(11,12)13/h7,9,14H,3-6H2,1-2H3
InChIKeyIRSWMHQPHOPQJK-UHFFFAOYSA-N
XLogP1.74
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-butyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclopropanecarboxamide
CID 4432972
N-[1-butyl-2,5-dioxo-4-(trifluoromethyl)-4-imidazolidinyl]acetamide
CID 2968525
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-tert-Butyl-3-methylimidazolidin-4-one
CID 10964761
1-[(3S)-3-(difluoromethyl)pyrrolidin-1-yl]-2-(methylamino)ethanone
CID 129497578
(R)-2-tert-butyl-3-methylimidazolidin-4-one
CID 11207948
(S)-2-tert-butyl-3-methylimidazolidin-4-one
CID 13912134
1-(2-Aminoacetyl)-2-isopropyl-4-imidazolidinone
CID 20163744
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 53548188
1-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-3-(2,2,2-trifluoroethyl)urea
CID 72042109

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one?
The IUPAC name of 2-propan-2-yl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one (CID 83259769) is 2-propan-2-yl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one.
What is the SMILES notation for 2-propan-2-yl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one?
The canonical SMILES for 2-propan-2-yl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one is CC(C)C1NCC(=O)N1CCCC(F)(F)F.
What is the InChIKey of 2-propan-2-yl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one?
The InChIKey is IRSWMHQPHOPQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O/c1-7(2)9-14-6-8(16)15(9)5-3-4-10(11,12)13/h7,9,14H,3-6H2,1-2H3.
What are the key properties of 2-propan-2-yl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one?
2-propan-2-yl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one has a molecular weight of 238.25 g/mol, XLogP of 1.74, 4 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-(4,4,4-trifluorobutyl)imidazolidin-4-one is sourced from PubChem (CID 83259769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).