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

C25H37F4N2U- — CID 167493255

IUPACethane;(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
SMILESCC.CCC.CCC/C=C\C=C(C)\C(=N/C/C=C(\C)N)c1[c-]cc(C(F)(F)F)cc1F.[U]
InChIInChI=1S/C20H23F4N2.C3H8.C2H6.U/c1-4-5-6-7-8-14(2)19(26-12-11-15(3)25)17-10-9-16(13-18(17)21)20(22,23)24;1-3-2;1-2;/h6-9,11,13H,4-5,12,25H2,1-3H3;3H2,1-2H3;1-2H3;/q-1;;;/b7-6-,14-8+,15-11+,26-19+;;;
InChIKeyIMGBAZXMWSBHOO-YHFSMWPPSA-N
MW679.61 g/mol
LogP8.04
Rot. Bonds7

About 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

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 (PubChem CID 167493255) has the molecular formula C25H37F4N2U- and a molecular weight of 679.61 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nameethane;(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
PubChem CID167493255
Molecular FormulaC25H37F4N2U-
Molecular Weight679.61 g/mol
Exact Mass679.34
IUPAC Nameethane;(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
SMILESCC.CCC.CCC/C=C\C=C(C)\C(=N/C/C=C(\C)N)c1[c-]cc(C(F)(F)F)cc1F.[U]
InChIInChI=1S/C20H23F4N2.C3H8.C2H6.U/c1-4-5-6-7-8-14(2)19(26-12-11-15(3)25)17-10-9-16(13-18(17)21)20(22,23)24;1-3-2;1-2;/h6-9,11,13H,4-5,12,25H2,1-3H3;3H2,1-2H3;1-2H3;/q-1;;;/b7-6-,14-8+,15-11+,26-19+;;;
InChIKeyIMGBAZXMWSBHOO-YHFSMWPPSA-N
XLogP8.04
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.61
LogP ≤ 58.04
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 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC.CCC.CCC/C=C\C=C(C)\C(=N/C/C=C(\C)N)c1[c-]cc(C(F)(F)F)cc1F.[U].
What is the InChIKey of 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?
The InChIKey is IMGBAZXMWSBHOO-YHFSMWPPSA-N. The full InChI is InChI=1S/C20H23F4N2.C3H8.C2H6.U/c1-4-5-6-7-8-14(2)19(26-12-11-15(3)25)17-10-9-16(13-18(17)21)20(22,23)24;1-3-2;1-2;/h6-9,11,13H,4-5,12,25H2,1-3H3;3H2,1-2H3;1-2H3;/q-1;;;/b7-6-,14-8+,15-11+,26-19+;;;.
What are the key properties of 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?
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 has a molecular weight of 679.61 g/mol, XLogP of 8.04, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167493255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).