1-butyl-2-[(2Z,4Z)-6-fluoro-2-(1-fluoroethyl)hepta-2,4-dienyl]-2-methyl-1-propan-2-ylhydrazine

C17H32F2N2 — CID 155442218

IUPAC1-butyl-2-[(2Z,4Z)-6-fluoro-2-(1-fluoroethyl)hepta-2,4-dienyl]-2-methyl-1-propan-2-ylhydrazine
SMILESCCCCN(C(C)C)N(C)C/C(=C/C=C\C(C)F)C(C)F
InChIInChI=1S/C17H32F2N2/c1-7-8-12-21(14(2)3)20(6)13-17(16(5)19)11-9-10-15(4)18/h9-11,14-16H,7-8,12-13H2,1-6H3/b10-9-,17-11-
InChIKeyFRADYQMAYQCGIL-XJPAVUHSSA-N
MW302.45 g/mol
LogP4.54
Rot. Bonds10

About 1-butyl-2-[(2Z,4Z)-6-fluoro-2-(1-fluoroethyl)hepta-2,4-dienyl]-2-methyl-1-propan-2-ylhydrazine

1-butyl-2-[(2Z,4Z)-6-fluoro-2-(1-fluoroethyl)hepta-2,4-dienyl]-2-methyl-1-propan-2-ylhydrazine (PubChem CID 155442218) has the molecular formula C17H32F2N2 and a molecular weight of 302.45 g/mol. Its IUPAC name is 1-butyl-2-[(2Z,4Z)-6-fluoro-2-(1-fluoroethyl)hepta-2,4-dienyl]-2-methyl-1-propan-2-ylhydrazine.

Molecular Properties

Compound Name1-butyl-2-[(2Z,4Z)-6-fluoro-2-(1-fluoroethyl)hepta-2,4-dienyl]-2-methyl-1-propan-2-ylhydrazine
PubChem CID155442218
Molecular FormulaC17H32F2N2
Molecular Weight302.45 g/mol
Exact Mass302.25
IUPAC Name1-butyl-2-[(2Z,4Z)-6-fluoro-2-(1-fluoroethyl)hepta-2,4-dienyl]-2-methyl-1-propan-2-ylhydrazine
SMILESCCCCN(C(C)C)N(C)C/C(=C/C=C\C(C)F)C(C)F
InChIInChI=1S/C17H32F2N2/c1-7-8-12-21(14(2)3)20(6)13-17(16(5)19)11-9-10-15(4)18/h9-11,14-16H,7-8,12-13H2,1-6H3/b10-9-,17-11-
InChIKeyFRADYQMAYQCGIL-XJPAVUHSSA-N
XLogP4.54
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.45
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-[(2Z,4Z)-6-fluoro-2-(1-fluoroethyl)hepta-2,4-dienyl]-2-methyl-1-propan-2-ylhydrazine?
The IUPAC name of 1-butyl-2-[(2Z,4Z)-6-fluoro-2-(1-fluoroethyl)hepta-2,4-dienyl]-2-methyl-1-propan-2-ylhydrazine (CID 155442218) is 1-butyl-2-[(2Z,4Z)-6-fluoro-2-(1-fluoroethyl)hepta-2,4-dienyl]-2-methyl-1-propan-2-ylhydrazine.
What is the SMILES notation for 1-butyl-2-[(2Z,4Z)-6-fluoro-2-(1-fluoroethyl)hepta-2,4-dienyl]-2-methyl-1-propan-2-ylhydrazine?
The canonical SMILES for 1-butyl-2-[(2Z,4Z)-6-fluoro-2-(1-fluoroethyl)hepta-2,4-dienyl]-2-methyl-1-propan-2-ylhydrazine is CCCCN(C(C)C)N(C)C/C(=C/C=C\C(C)F)C(C)F.
What is the InChIKey of 1-butyl-2-[(2Z,4Z)-6-fluoro-2-(1-fluoroethyl)hepta-2,4-dienyl]-2-methyl-1-propan-2-ylhydrazine?
The InChIKey is FRADYQMAYQCGIL-XJPAVUHSSA-N. The full InChI is InChI=1S/C17H32F2N2/c1-7-8-12-21(14(2)3)20(6)13-17(16(5)19)11-9-10-15(4)18/h9-11,14-16H,7-8,12-13H2,1-6H3/b10-9-,17-11-.
What are the key properties of 1-butyl-2-[(2Z,4Z)-6-fluoro-2-(1-fluoroethyl)hepta-2,4-dienyl]-2-methyl-1-propan-2-ylhydrazine?
1-butyl-2-[(2Z,4Z)-6-fluoro-2-(1-fluoroethyl)hepta-2,4-dienyl]-2-methyl-1-propan-2-ylhydrazine has a molecular weight of 302.45 g/mol, XLogP of 4.54, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-[(2Z,4Z)-6-fluoro-2-(1-fluoroethyl)hepta-2,4-dienyl]-2-methyl-1-propan-2-ylhydrazine is sourced from PubChem (CID 155442218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).