7-butan-2-yl-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;hexane;2-methylbutane;(E)-N-[(Z)-pent-2-en-2-yl]-2-(trifluoromethyl)but-2-en-1-imine;N-pentyl-N-propylformamide

About 7-butan-2-yl-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;hexane;2-methylbutane;(E)-N-[(Z)-pent-2-en-2-yl]-2-(trifluoromethyl)but-2-en-1-imine;N-pentyl-N-propylformamide

7-butan-2-yl-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;hexane;2-methylbutane;(E)-N-[(Z)-pent-2-en-2-yl]-2-(trifluoromethyl)but-2-en-1-imine;N-pentyl-N-propylformamide (PubChem CID 171493028) has the molecular formula C42H74F6N4O2 and a molecular weight of 781.07 g/mol. Its IUPAC name is 7-butan-2-yl-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;hexane;2-methylbutane;(E)-N-[(Z)-pent-2-en-2-yl]-2-(trifluoromethyl)but-2-en-1-imine;N-pentyl-N-propylformamide.

Molecular Properties

Compound Name	7-butan-2-yl-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;hexane;2-methylbutane;(E)-N-[(Z)-pent-2-en-2-yl]-2-(trifluoromethyl)but-2-en-1-imine;N-pentyl-N-propylformamide
PubChem CID	171493028
Molecular Formula	C42H74F6N4O2
Molecular Weight	781.07 g/mol
Exact Mass	780.57
IUPAC Name	7-butan-2-yl-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;hexane;2-methylbutane;(E)-N-[(Z)-pent-2-en-2-yl]-2-(trifluoromethyl)but-2-en-1-imine;N-pentyl-N-propylformamide
SMILES	C/C=C(\C=N\C(C)=C/CC)C(F)(F)F.CCC(C)C.CCC(C)C1CCc2c1n[nH]c(=O)c2C(F)(F)F.CCCCCC.CCCCCN(C=O)CCC
InChI	InChI=1S/C12H15F3N2O.C10H14F3N.C9H19NO.C6H14.C5H12/c1-3-6(2)7-4-5-8-9(12(13,14)15)11(18)17-16-10(7)8;1-4-6-8(3)14-7-9(5-2)10(11,12)13;1-3-5-6-8-10(9-11)7-4-2;1-3-5-6-4-2;1-4-5(2)3/h6-7H,3-5H2,1-2H3,(H,17,18);5-7H,4H2,1-3H3;9H,3-8H2,1-2H3;3-6H2,1-2H3;5H,4H2,1-3H3/b;8-6-,9-5+,14-7+;;;
InChIKey	BAEBTVVGNCDRGT-NIIZOIEPSA-N
XLogP	13.43
TPSA	78.42 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	16
Heavy Atoms	54
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	781.07
LogP ≤ 5	13.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 7-butan-2-yl-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;hexane;2-methylbutane;(E)-N-[(Z)-pent-2-en-2-yl]-2-(trifluoromethyl)but-2-en-1-imine;N-pentyl-N-propylformamide?

The IUPAC name of 7-butan-2-yl-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;hexane;2-methylbutane;(E)-N-[(Z)-pent-2-en-2-yl]-2-(trifluoromethyl)but-2-en-1-imine;N-pentyl-N-propylformamide (CID 171493028) is 7-butan-2-yl-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;hexane;2-methylbutane;(E)-N-[(Z)-pent-2-en-2-yl]-2-(trifluoromethyl)but-2-en-1-imine;N-pentyl-N-propylformamide.

What is the SMILES notation for 7-butan-2-yl-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;hexane;2-methylbutane;(E)-N-[(Z)-pent-2-en-2-yl]-2-(trifluoromethyl)but-2-en-1-imine;N-pentyl-N-propylformamide?

The canonical SMILES for 7-butan-2-yl-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;hexane;2-methylbutane;(E)-N-[(Z)-pent-2-en-2-yl]-2-(trifluoromethyl)but-2-en-1-imine;N-pentyl-N-propylformamide is C/C=C(\C=N\C(C)=C/CC)C(F)(F)F.CCC(C)C.CCC(C)C1CCc2c1n[nH]c(=O)c2C(F)(F)F.CCCCCC.CCCCCN(C=O)CCC.

What is the InChIKey of 7-butan-2-yl-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;hexane;2-methylbutane;(E)-N-[(Z)-pent-2-en-2-yl]-2-(trifluoromethyl)but-2-en-1-imine;N-pentyl-N-propylformamide?

The InChIKey is BAEBTVVGNCDRGT-NIIZOIEPSA-N. The full InChI is InChI=1S/C12H15F3N2O.C10H14F3N.C9H19NO.C6H14.C5H12/c1-3-6(2)7-4-5-8-9(12(13,14)15)11(18)17-16-10(7)8;1-4-6-8(3)14-7-9(5-2)10(11,12)13;1-3-5-6-8-10(9-11)7-4-2;1-3-5-6-4-2;1-4-5(2)3/h6-7H,3-5H2,1-2H3,(H,17,18);5-7H,4H2,1-3H3;9H,3-8H2,1-2H3;3-6H2,1-2H3;5H,4H2,1-3H3/b;8-6-,9-5+,14-7+;;;.

What are the key properties of 7-butan-2-yl-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;hexane;2-methylbutane;(E)-N-[(Z)-pent-2-en-2-yl]-2-(trifluoromethyl)but-2-en-1-imine;N-pentyl-N-propylformamide?

7-butan-2-yl-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;hexane;2-methylbutane;(E)-N-[(Z)-pent-2-en-2-yl]-2-(trifluoromethyl)but-2-en-1-imine;N-pentyl-N-propylformamide has a molecular weight of 781.07 g/mol, XLogP of 13.43, 16 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-butan-2-yl-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;hexane;2-methylbutane;(E)-N-[(Z)-pent-2-en-2-yl]-2-(trifluoromethyl)but-2-en-1-imine;N-pentyl-N-propylformamide is sourced from PubChem (CID 171493028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).