carbanide;4-(2,5-dimethylbenzene-4-id-1-yl)-1,1,1-trifluoro-4-methyliminobut-2-en-2-amine;uranium(2+)

C14H17F3N2U — CID 163520838

IUPACcarbanide;4-(2,5-dimethylbenzene-4-id-1-yl)-1,1,1-trifluoro-4-methyliminobut-2-en-2-amine;uranium(2+)
SMILESC/N=C(/C=C(N)C(F)(F)F)c1cc(C)[c-]cc1C.[CH3-].[U+2]
InChIInChI=1S/C13H14F3N2.CH3.U/c1-8-4-5-9(2)10(6-8)11(18-3)7-12(17)13(14,15)16;;/h5-7H,17H2,1-3H3;1H3;/q2*-1;+2/b12-7?,18-11-;;
InChIKeyGEXDAGCOEYIVGZ-XMYZVOHWSA-N
MW508.33 g/mol
LogP3.38
Rot. Bonds2

About carbanide;4-(2,5-dimethylbenzene-4-id-1-yl)-1,1,1-trifluoro-4-methyliminobut-2-en-2-amine;uranium(2+)

carbanide;4-(2,5-dimethylbenzene-4-id-1-yl)-1,1,1-trifluoro-4-methyliminobut-2-en-2-amine;uranium(2+) (PubChem CID 163520838) has the molecular formula C14H17F3N2U and a molecular weight of 508.33 g/mol. Its IUPAC name is carbanide;4-(2,5-dimethylbenzene-4-id-1-yl)-1,1,1-trifluoro-4-methyliminobut-2-en-2-amine;uranium(2+).

Molecular Properties

Compound Namecarbanide;4-(2,5-dimethylbenzene-4-id-1-yl)-1,1,1-trifluoro-4-methyliminobut-2-en-2-amine;uranium(2+)
PubChem CID163520838
Molecular FormulaC14H17F3N2U
Molecular Weight508.33 g/mol
Exact Mass508.19
IUPAC Namecarbanide;4-(2,5-dimethylbenzene-4-id-1-yl)-1,1,1-trifluoro-4-methyliminobut-2-en-2-amine;uranium(2+)
SMILESC/N=C(/C=C(N)C(F)(F)F)c1cc(C)[c-]cc1C.[CH3-].[U+2]
InChIInChI=1S/C13H14F3N2.CH3.U/c1-8-4-5-9(2)10(6-8)11(18-3)7-12(17)13(14,15)16;;/h5-7H,17H2,1-3H3;1H3;/q2*-1;+2/b12-7?,18-11-;;
InChIKeyGEXDAGCOEYIVGZ-XMYZVOHWSA-N
XLogP3.38
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.33
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carbanide;4-(2,5-dimethylbenzene-4-id-1-yl)-1,1,1-trifluoro-4-methyliminobut-2-en-2-amine;uranium(2+)?
The IUPAC name of carbanide;4-(2,5-dimethylbenzene-4-id-1-yl)-1,1,1-trifluoro-4-methyliminobut-2-en-2-amine;uranium(2+) (CID 163520838) is carbanide;4-(2,5-dimethylbenzene-4-id-1-yl)-1,1,1-trifluoro-4-methyliminobut-2-en-2-amine;uranium(2+).
What is the SMILES notation for carbanide;4-(2,5-dimethylbenzene-4-id-1-yl)-1,1,1-trifluoro-4-methyliminobut-2-en-2-amine;uranium(2+)?
The canonical SMILES for carbanide;4-(2,5-dimethylbenzene-4-id-1-yl)-1,1,1-trifluoro-4-methyliminobut-2-en-2-amine;uranium(2+) is C/N=C(/C=C(N)C(F)(F)F)c1cc(C)[c-]cc1C.[CH3-].[U+2].
What is the InChIKey of carbanide;4-(2,5-dimethylbenzene-4-id-1-yl)-1,1,1-trifluoro-4-methyliminobut-2-en-2-amine;uranium(2+)?
The InChIKey is GEXDAGCOEYIVGZ-XMYZVOHWSA-N. The full InChI is InChI=1S/C13H14F3N2.CH3.U/c1-8-4-5-9(2)10(6-8)11(18-3)7-12(17)13(14,15)16;;/h5-7H,17H2,1-3H3;1H3;/q2*-1;+2/b12-7?,18-11-;;.
What are the key properties of carbanide;4-(2,5-dimethylbenzene-4-id-1-yl)-1,1,1-trifluoro-4-methyliminobut-2-en-2-amine;uranium(2+)?
carbanide;4-(2,5-dimethylbenzene-4-id-1-yl)-1,1,1-trifluoro-4-methyliminobut-2-en-2-amine;uranium(2+) has a molecular weight of 508.33 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;4-(2,5-dimethylbenzene-4-id-1-yl)-1,1,1-trifluoro-4-methyliminobut-2-en-2-amine;uranium(2+) is sourced from PubChem (CID 163520838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).