(E)-2-[difluoro(phosphanyl)methyl]-N-[(E)-pent-2-en-2-yl]but-2-en-1-imine;7-(3-nonan-4-yloxyprop-1-en-2-ylamino)-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;uranium

C30H45F5N4O2PU- — CID 171493723

IUPAC(E)-2-[difluoro(phosphanyl)methyl]-N-[(E)-pent-2-en-2-yl]but-2-en-1-imine;7-(3-nonan-4-yloxyprop-1-en-2-ylamino)-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;uranium
SMILESC/C=C(\C=N\C(C)=C\CC)C(F)(F)P.[H]/[C-]=C(/COC(CCC)CCCCC)NC1CCc2c1n[nH]c(=O)c2C(F)(F)F.[U]
InChIInChI=1S/C20H29F3N3O2.C10H16F2NP.U/c1-4-6-7-9-14(8-5-2)28-12-13(3)24-16-11-10-15-17(20(21,22)23)19(27)26-25-18(15)16;1-4-6-8(3)13-7-9(5-2)10(11,12)14;/h3,14,16,24H,4-12H2,1-2H3,(H,26,27);5-7H,4,14H2,1-3H3;/q-1;;/b;8-6+,9-5+,13-7+;
InChIKeyACCNLTHARZJQBF-BEAGNQQNSA-N
MW857.71 g/mol
LogP8.23
Rot. Bonds15

About (E)-2-[difluoro(phosphanyl)methyl]-N-[(E)-pent-2-en-2-yl]but-2-en-1-imine;7-(3-nonan-4-yloxyprop-1-en-2-ylamino)-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;uranium

(E)-2-[difluoro(phosphanyl)methyl]-N-[(E)-pent-2-en-2-yl]but-2-en-1-imine;7-(3-nonan-4-yloxyprop-1-en-2-ylamino)-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;uranium (PubChem CID 171493723) has the molecular formula C30H45F5N4O2PU- and a molecular weight of 857.71 g/mol. Its IUPAC name is (E)-2-[difluoro(phosphanyl)methyl]-N-[(E)-pent-2-en-2-yl]but-2-en-1-imine;7-(3-nonan-4-yloxyprop-1-en-2-ylamino)-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;uranium.

Molecular Properties

Compound Name(E)-2-[difluoro(phosphanyl)methyl]-N-[(E)-pent-2-en-2-yl]but-2-en-1-imine;7-(3-nonan-4-yloxyprop-1-en-2-ylamino)-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;uranium
PubChem CID171493723
Molecular FormulaC30H45F5N4O2PU-
Molecular Weight857.71 g/mol
Exact Mass857.37
IUPAC Name(E)-2-[difluoro(phosphanyl)methyl]-N-[(E)-pent-2-en-2-yl]but-2-en-1-imine;7-(3-nonan-4-yloxyprop-1-en-2-ylamino)-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;uranium
SMILESC/C=C(\C=N\C(C)=C\CC)C(F)(F)P.[H]/[C-]=C(/COC(CCC)CCCCC)NC1CCc2c1n[nH]c(=O)c2C(F)(F)F.[U]
InChIInChI=1S/C20H29F3N3O2.C10H16F2NP.U/c1-4-6-7-9-14(8-5-2)28-12-13(3)24-16-11-10-15-17(20(21,22)23)19(27)26-25-18(15)16;1-4-6-8(3)13-7-9(5-2)10(11,12)14;/h3,14,16,24H,4-12H2,1-2H3,(H,26,27);5-7H,4,14H2,1-3H3;/q-1;;/b;8-6+,9-5+,13-7+;
InChIKeyACCNLTHARZJQBF-BEAGNQQNSA-N
XLogP8.23
TPSA79.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500857.71
LogP ≤ 58.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (E)-2-[difluoro(phosphanyl)methyl]-N-[(E)-pent-2-en-2-yl]but-2-en-1-imine;7-(3-nonan-4-yloxyprop-1-en-2-ylamino)-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;uranium with MolForge

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Related Compounds

2-nonan-4-yloxy-N-[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]acetamide;(E)-N-[(E)-pent-2-en-2-yl]-2-(trifluoromethyl)but-2-en-1-imine
CID 171492918
2-cyclooctyloxy-N-[4-(1,1-difluoroethyl)-3-oxo-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]acetamide;(E)-2-(1,1-difluoroethyl)-N-prop-1-en-2-ylbut-2-en-1-imine
CID 171493373
7-(3-Nonan-4-yloxyprop-1-en-2-ylamino)-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one
CID 171493725

Frequently Asked Questions

What is the IUPAC name of (E)-2-[difluoro(phosphanyl)methyl]-N-[(E)-pent-2-en-2-yl]but-2-en-1-imine;7-(3-nonan-4-yloxyprop-1-en-2-ylamino)-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;uranium?
The IUPAC name of (E)-2-[difluoro(phosphanyl)methyl]-N-[(E)-pent-2-en-2-yl]but-2-en-1-imine;7-(3-nonan-4-yloxyprop-1-en-2-ylamino)-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;uranium (CID 171493723) is (E)-2-[difluoro(phosphanyl)methyl]-N-[(E)-pent-2-en-2-yl]but-2-en-1-imine;7-(3-nonan-4-yloxyprop-1-en-2-ylamino)-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;uranium.
What is the SMILES notation for (E)-2-[difluoro(phosphanyl)methyl]-N-[(E)-pent-2-en-2-yl]but-2-en-1-imine;7-(3-nonan-4-yloxyprop-1-en-2-ylamino)-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;uranium?
The canonical SMILES for (E)-2-[difluoro(phosphanyl)methyl]-N-[(E)-pent-2-en-2-yl]but-2-en-1-imine;7-(3-nonan-4-yloxyprop-1-en-2-ylamino)-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;uranium is C/C=C(\C=N\C(C)=C\CC)C(F)(F)P.[H]/[C-]=C(/COC(CCC)CCCCC)NC1CCc2c1n[nH]c(=O)c2C(F)(F)F.[U].
What is the InChIKey of (E)-2-[difluoro(phosphanyl)methyl]-N-[(E)-pent-2-en-2-yl]but-2-en-1-imine;7-(3-nonan-4-yloxyprop-1-en-2-ylamino)-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;uranium?
The InChIKey is ACCNLTHARZJQBF-BEAGNQQNSA-N. The full InChI is InChI=1S/C20H29F3N3O2.C10H16F2NP.U/c1-4-6-7-9-14(8-5-2)28-12-13(3)24-16-11-10-15-17(20(21,22)23)19(27)26-25-18(15)16;1-4-6-8(3)13-7-9(5-2)10(11,12)14;/h3,14,16,24H,4-12H2,1-2H3,(H,26,27);5-7H,4,14H2,1-3H3;/q-1;;/b;8-6+,9-5+,13-7+;.
What are the key properties of (E)-2-[difluoro(phosphanyl)methyl]-N-[(E)-pent-2-en-2-yl]but-2-en-1-imine;7-(3-nonan-4-yloxyprop-1-en-2-ylamino)-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;uranium?
(E)-2-[difluoro(phosphanyl)methyl]-N-[(E)-pent-2-en-2-yl]but-2-en-1-imine;7-(3-nonan-4-yloxyprop-1-en-2-ylamino)-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;uranium has a molecular weight of 857.71 g/mol, XLogP of 8.23, 15 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[difluoro(phosphanyl)methyl]-N-[(E)-pent-2-en-2-yl]but-2-en-1-imine;7-(3-nonan-4-yloxyprop-1-en-2-ylamino)-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;uranium is sourced from PubChem (CID 171493723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).