5-butan-2-yl-2-methyl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one

C12H21F3N2O — CID 83259869

IUPAC5-butan-2-yl-2-methyl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one
SMILESCCC(C)C1NC(C)N(CCCC(F)(F)F)C1=O
InChIInChI=1S/C12H21F3N2O/c1-4-8(2)10-11(18)17(9(3)16-10)7-5-6-12(13,14)15/h8-10,16H,4-7H2,1-3H3
InChIKeyKDGCHOOZFXLFJV-UHFFFAOYSA-N
MW266.31 g/mol
LogP2.52
Rot. Bonds5

About 5-butan-2-yl-2-methyl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one

5-butan-2-yl-2-methyl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one (PubChem CID 83259869) has the molecular formula C12H21F3N2O and a molecular weight of 266.31 g/mol. Its IUPAC name is 5-butan-2-yl-2-methyl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one.

Molecular Properties

Compound Name5-butan-2-yl-2-methyl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one
PubChem CID83259869
Molecular FormulaC12H21F3N2O
Molecular Weight266.31 g/mol
Exact Mass266.16
IUPAC Name5-butan-2-yl-2-methyl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one
SMILESCCC(C)C1NC(C)N(CCCC(F)(F)F)C1=O
InChIInChI=1S/C12H21F3N2O/c1-4-8(2)10-11(18)17(9(3)16-10)7-5-6-12(13,14)15/h8-10,16H,4-7H2,1-3H3
InChIKeyKDGCHOOZFXLFJV-UHFFFAOYSA-N
XLogP2.52
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-butan-2-yl-2-ethyl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one
CID 83260297
5-butan-2-yl-2-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one
CID 83264986
5-butan-2-yl-3-[2-(diethylamino)ethyl]-2-methylimidazolidin-4-one
CID 83239751
5-butan-2-yl-2-methyl-3-(2-pyrrolidin-1-ylethyl)imidazolidin-4-one
CID 83253941
5-butan-2-yl-3-(2,3-dimethylbutyl)-2-methylimidazolidin-4-one
CID 83259137
5-butan-2-yl-2-methyl-3-(2-morpholin-4-ylethyl)imidazolidin-4-one
CID 83250695
3-butan-2-yl-7-methyl-1-(3,3,3-trifluoropropyl)-1,4-diazepane-2,5-dione
CID 64883336
3-decyl-2-methyl-5-propan-2-ylimidazolidin-4-one
CID 83270397
5-butan-2-yl-2-methyl-3-[(1-propan-2-ylcyclopropyl)methyl]imidazolidin-4-one
CID 114115041
5-ethyl-2-propan-2-yl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one
CID 83259681
6-butan-2-yl-3-propan-2-yl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione
CID 64872817
5-butan-2-yl-2-(2-methylpropyl)-3-pentylimidazolidin-4-one
CID 83250722

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-2-methyl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one?
The IUPAC name of 5-butan-2-yl-2-methyl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one (CID 83259869) is 5-butan-2-yl-2-methyl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one.
What is the SMILES notation for 5-butan-2-yl-2-methyl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one?
The canonical SMILES for 5-butan-2-yl-2-methyl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one is CCC(C)C1NC(C)N(CCCC(F)(F)F)C1=O.
What is the InChIKey of 5-butan-2-yl-2-methyl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one?
The InChIKey is KDGCHOOZFXLFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O/c1-4-8(2)10-11(18)17(9(3)16-10)7-5-6-12(13,14)15/h8-10,16H,4-7H2,1-3H3.
What are the key properties of 5-butan-2-yl-2-methyl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one?
5-butan-2-yl-2-methyl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one has a molecular weight of 266.31 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-2-methyl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one is sourced from PubChem (CID 83259869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).