difluoromethane;ethane;(E)-4-[[(2E,4Z)-1-(2-fluoro-4-methylbenzene-6-id-1-yl)-2-methylhepta-2,4-dienylidene]amino]but-2-en-2-amine;propane;uranium(2+)

C25H39F3N2U — CID 167492826

IUPACdifluoromethane;ethane;(E)-4-[[(2E,4Z)-1-(2-fluoro-4-methylbenzene-6-id-1-yl)-2-methylhepta-2,4-dienylidene]amino]but-2-en-2-amine;propane;uranium(2+)
SMILESCC.CC/C=C\C=C(C)\C(=N/C/C=C(\C)N)c1[c-]cc(C)cc1F.CCC.F[CH-]F.[U+2]
InChIInChI=1S/C19H24FN2.C3H8.C2H6.CHF2.U/c1-5-6-7-8-15(3)19(22-12-11-16(4)21)17-10-9-14(2)13-18(17)20;1-3-2;1-2;2-1-3;/h6-9,11,13H,5,12,21H2,1-4H3;3H2,1-2H3;1-2H3;1H;/q-1;;;-1;+2/b7-6-,15-8+,16-11+,22-19+;;;;
InChIKeyLABQITNDPHBBPR-FQRDSCICSA-N
MW662.62 g/mol
LogP7.99
Rot. Bonds6

About difluoromethane;ethane;(E)-4-[[(2E,4Z)-1-(2-fluoro-4-methylbenzene-6-id-1-yl)-2-methylhepta-2,4-dienylidene]amino]but-2-en-2-amine;propane;uranium(2+)

difluoromethane;ethane;(E)-4-[[(2E,4Z)-1-(2-fluoro-4-methylbenzene-6-id-1-yl)-2-methylhepta-2,4-dienylidene]amino]but-2-en-2-amine;propane;uranium(2+) (PubChem CID 167492826) has the molecular formula C25H39F3N2U and a molecular weight of 662.62 g/mol. Its IUPAC name is difluoromethane;ethane;(E)-4-[[(2E,4Z)-1-(2-fluoro-4-methylbenzene-6-id-1-yl)-2-methylhepta-2,4-dienylidene]amino]but-2-en-2-amine;propane;uranium(2+).

Molecular Properties

Compound Namedifluoromethane;ethane;(E)-4-[[(2E,4Z)-1-(2-fluoro-4-methylbenzene-6-id-1-yl)-2-methylhepta-2,4-dienylidene]amino]but-2-en-2-amine;propane;uranium(2+)
PubChem CID167492826
Molecular FormulaC25H39F3N2U
Molecular Weight662.62 g/mol
Exact Mass662.36
IUPAC Namedifluoromethane;ethane;(E)-4-[[(2E,4Z)-1-(2-fluoro-4-methylbenzene-6-id-1-yl)-2-methylhepta-2,4-dienylidene]amino]but-2-en-2-amine;propane;uranium(2+)
SMILESCC.CC/C=C\C=C(C)\C(=N/C/C=C(\C)N)c1[c-]cc(C)cc1F.CCC.F[CH-]F.[U+2]
InChIInChI=1S/C19H24FN2.C3H8.C2H6.CHF2.U/c1-5-6-7-8-15(3)19(22-12-11-16(4)21)17-10-9-14(2)13-18(17)20;1-3-2;1-2;2-1-3;/h6-9,11,13H,5,12,21H2,1-4H3;3H2,1-2H3;1-2H3;1H;/q-1;;;-1;+2/b7-6-,15-8+,16-11+,22-19+;;;;
InChIKeyLABQITNDPHBBPR-FQRDSCICSA-N
XLogP7.99
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.62
LogP ≤ 57.99
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze difluoromethane;ethane;(E)-4-[[(2E,4Z)-1-(2-fluoro-4-methylbenzene-6-id-1-yl)-2-methylhepta-2,4-dienylidene]amino]but-2-en-2-amine;propane;uranium(2+) with MolForge

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Related Compounds

(Z,4Z)-4-[6-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]-2-methylidene-3-pyridinylidene]but-2-en-1-amine
CID 121321882
(3E)-3-fluoro-4-[[(5Z)-6-methyl-3-methylidene-4-propan-2-ylideneocta-5,7-dien-2-ylidene]amino]buta-1,3-dien-2-amine
CID 130336733
(E)-1-[[(3E,5E)-3-ethenyl-6-(trifluoromethyl)nona-3,5-dien-2-ylidene]amino]prop-1-en-2-amine
CID 156184677
Carbanide;4-(2,5-dimethylbenzene-4-id-1-yl)-1,1,1-trifluoro-4-methyliminobut-2-en-2-amine;uranium(2+)
CID 163520838
difluoromethane;(E)-4-[[(2Z,4Z)-3-fluoro-2-methyl-1-[4-(trifluoromethyl)benzene-6-id-1-yl]hepta-2,4-dienylidene]amino]but-2-en-2-amine;3-methylpentane;propane;uranium(2+)
CID 167493006
ethane;(E)-4-[[(2Z,4Z)-3-fluoro-2-methyl-1-[4-(trifluoromethyl)benzene-6-id-1-yl]hepta-2,4-dienylidene]amino]but-2-en-2-amine;1-methylpiperidine;uranium
CID 167493162
ethane;(E)-4-[[(2E,4Z)-1-[2-fluoro-4-(trifluoromethyl)benzene-6-id-1-yl]-2-methylocta-2,4-dienylidene]amino]but-2-en-2-amine;propane;uranium
CID 167493255
3-[4-[difluoro(phosphanyl)methyl]benzene-6-id-1-yl]-2-methyl-5H-1,4-diazepin-7-amine;ethane;uranium
CID 167493377
ethane;2-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]-5H-1,4-diazepin-7-amine;uranium
CID 167493387
6-Methylidene-3-(3,3,3-trifluoropropylimino)non-4-en-5-amine
CID 173765929
4-[4-(1,1-Difluorobut-3-enyl)cyclohexa-1,3-dien-1-yl]iminohex-2-ene-1,2-diamine
CID 162569566
4-Imino-1-[[5-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]amino]but-2-en-2-amine
CID 162592923

Frequently Asked Questions

What is the IUPAC name of difluoromethane;ethane;(E)-4-[[(2E,4Z)-1-(2-fluoro-4-methylbenzene-6-id-1-yl)-2-methylhepta-2,4-dienylidene]amino]but-2-en-2-amine;propane;uranium(2+)?
The IUPAC name of difluoromethane;ethane;(E)-4-[[(2E,4Z)-1-(2-fluoro-4-methylbenzene-6-id-1-yl)-2-methylhepta-2,4-dienylidene]amino]but-2-en-2-amine;propane;uranium(2+) (CID 167492826) is difluoromethane;ethane;(E)-4-[[(2E,4Z)-1-(2-fluoro-4-methylbenzene-6-id-1-yl)-2-methylhepta-2,4-dienylidene]amino]but-2-en-2-amine;propane;uranium(2+).
What is the SMILES notation for difluoromethane;ethane;(E)-4-[[(2E,4Z)-1-(2-fluoro-4-methylbenzene-6-id-1-yl)-2-methylhepta-2,4-dienylidene]amino]but-2-en-2-amine;propane;uranium(2+)?
The canonical SMILES for difluoromethane;ethane;(E)-4-[[(2E,4Z)-1-(2-fluoro-4-methylbenzene-6-id-1-yl)-2-methylhepta-2,4-dienylidene]amino]but-2-en-2-amine;propane;uranium(2+) is CC.CC/C=C\C=C(C)\C(=N/C/C=C(\C)N)c1[c-]cc(C)cc1F.CCC.F[CH-]F.[U+2].
What is the InChIKey of difluoromethane;ethane;(E)-4-[[(2E,4Z)-1-(2-fluoro-4-methylbenzene-6-id-1-yl)-2-methylhepta-2,4-dienylidene]amino]but-2-en-2-amine;propane;uranium(2+)?
The InChIKey is LABQITNDPHBBPR-FQRDSCICSA-N. The full InChI is InChI=1S/C19H24FN2.C3H8.C2H6.CHF2.U/c1-5-6-7-8-15(3)19(22-12-11-16(4)21)17-10-9-14(2)13-18(17)20;1-3-2;1-2;2-1-3;/h6-9,11,13H,5,12,21H2,1-4H3;3H2,1-2H3;1-2H3;1H;/q-1;;;-1;+2/b7-6-,15-8+,16-11+,22-19+;;;;.
What are the key properties of difluoromethane;ethane;(E)-4-[[(2E,4Z)-1-(2-fluoro-4-methylbenzene-6-id-1-yl)-2-methylhepta-2,4-dienylidene]amino]but-2-en-2-amine;propane;uranium(2+)?
difluoromethane;ethane;(E)-4-[[(2E,4Z)-1-(2-fluoro-4-methylbenzene-6-id-1-yl)-2-methylhepta-2,4-dienylidene]amino]but-2-en-2-amine;propane;uranium(2+) has a molecular weight of 662.62 g/mol, XLogP of 7.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for difluoromethane;ethane;(E)-4-[[(2E,4Z)-1-(2-fluoro-4-methylbenzene-6-id-1-yl)-2-methylhepta-2,4-dienylidene]amino]but-2-en-2-amine;propane;uranium(2+) is sourced from PubChem (CID 167492826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).