1-tert-butyl-3-propan-2-ylimidazolidin-2-one;1-fluoro-4-propan-2-ylbenzene;methane;yttrium

C22H43FN2OY — CID 159799784

IUPAC1-tert-butyl-3-propan-2-ylimidazolidin-2-one;1-fluoro-4-propan-2-ylbenzene;methane;yttrium
SMILESC.C.C.CC(C)N1CCN(C(C)(C)C)C1=O.CC(C)c1ccc(F)cc1.[Y]
InChIInChI=1S/C10H20N2O.C9H11F.3CH4.Y/c1-8(2)11-6-7-12(9(11)13)10(3,4)5;1-7(2)8-3-5-9(10)6-4-8;;;;/h8H,6-7H2,1-5H3;3-7H,1-2H3;3*1H4;
InChIKeyNJQHALFVXKEMEG-UHFFFAOYSA-N
MW459.50 g/mol
LogP6.79
Rot. Bonds2

About 1-tert-butyl-3-propan-2-ylimidazolidin-2-one;1-fluoro-4-propan-2-ylbenzene;methane;yttrium

1-tert-butyl-3-propan-2-ylimidazolidin-2-one;1-fluoro-4-propan-2-ylbenzene;methane;yttrium (PubChem CID 159799784) has the molecular formula C22H43FN2OY and a molecular weight of 459.50 g/mol. Its IUPAC name is 1-tert-butyl-3-propan-2-ylimidazolidin-2-one;1-fluoro-4-propan-2-ylbenzene;methane;yttrium.

Molecular Properties

Compound Name1-tert-butyl-3-propan-2-ylimidazolidin-2-one;1-fluoro-4-propan-2-ylbenzene;methane;yttrium
PubChem CID159799784
Molecular FormulaC22H43FN2OY
Molecular Weight459.50 g/mol
Exact Mass459.24
IUPAC Name1-tert-butyl-3-propan-2-ylimidazolidin-2-one;1-fluoro-4-propan-2-ylbenzene;methane;yttrium
SMILESC.C.C.CC(C)N1CCN(C(C)(C)C)C1=O.CC(C)c1ccc(F)cc1.[Y]
InChIInChI=1S/C10H20N2O.C9H11F.3CH4.Y/c1-8(2)11-6-7-12(9(11)13)10(3,4)5;1-7(2)8-3-5-9(10)6-4-8;;;;/h8H,6-7H2,1-5H3;3-7H,1-2H3;3*1H4;
InChIKeyNJQHALFVXKEMEG-UHFFFAOYSA-N
XLogP6.79
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.50
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-tert-butyl-3-propan-2-yl-1,3-diazinan-2-one
CID 131992272
1-(4-fluorophenyl)-3-propan-2-ylimidazolidin-2-one
CID 129202932
3,3-difluoro-1-propan-2-ylazetidine;1-fluoro-4-propan-2-ylbenzene;methane;yttrium
CID 159981381
1-fluoro-4-propan-2-ylbenzene;2-methylpropane
CID 177367696
deuterium monohydride;1-fluoro-4-propan-2-ylbenzene
CID 167565011
3-(4-fluorophenyl)-1-propan-2-yl-1,3-diazinane-2,4-dione
CID 2812855
1-fluoro-4-propan-2-ylbenzene;methane;2-oxo-1-propan-2-ylpyridine-3-carbonitrile;yttrium
CID 159494156
1,2-difluoro-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;methane
CID 157271017
1-(2,5-difluorophenyl)sulfonyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine
CID 17267165
1-[1-(4-fluorophenyl)ethyl]-4-propan-2-ylpiperazine
CID 174450752
1-fluoro-4-propan-2-ylbenzene;methane;3,3,3-trifluoro-N-propan-2-ylpropan-1-amine;yttrium
CID 162195552
1-methyl-3-propan-2-ylimidazolidin-2-one
CID 14177967

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-propan-2-ylimidazolidin-2-one;1-fluoro-4-propan-2-ylbenzene;methane;yttrium?
The IUPAC name of 1-tert-butyl-3-propan-2-ylimidazolidin-2-one;1-fluoro-4-propan-2-ylbenzene;methane;yttrium (CID 159799784) is 1-tert-butyl-3-propan-2-ylimidazolidin-2-one;1-fluoro-4-propan-2-ylbenzene;methane;yttrium.
What is the SMILES notation for 1-tert-butyl-3-propan-2-ylimidazolidin-2-one;1-fluoro-4-propan-2-ylbenzene;methane;yttrium?
The canonical SMILES for 1-tert-butyl-3-propan-2-ylimidazolidin-2-one;1-fluoro-4-propan-2-ylbenzene;methane;yttrium is C.C.C.CC(C)N1CCN(C(C)(C)C)C1=O.CC(C)c1ccc(F)cc1.[Y].
What is the InChIKey of 1-tert-butyl-3-propan-2-ylimidazolidin-2-one;1-fluoro-4-propan-2-ylbenzene;methane;yttrium?
The InChIKey is NJQHALFVXKEMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O.C9H11F.3CH4.Y/c1-8(2)11-6-7-12(9(11)13)10(3,4)5;1-7(2)8-3-5-9(10)6-4-8;;;;/h8H,6-7H2,1-5H3;3-7H,1-2H3;3*1H4;.
What are the key properties of 1-tert-butyl-3-propan-2-ylimidazolidin-2-one;1-fluoro-4-propan-2-ylbenzene;methane;yttrium?
1-tert-butyl-3-propan-2-ylimidazolidin-2-one;1-fluoro-4-propan-2-ylbenzene;methane;yttrium has a molecular weight of 459.50 g/mol, XLogP of 6.79, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-propan-2-ylimidazolidin-2-one;1-fluoro-4-propan-2-ylbenzene;methane;yttrium is sourced from PubChem (CID 159799784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).