1-[(1E,3E)-2-tert-butyl-3-(difluoromethyl)-1-fluoropenta-1,3-dienyl]-1-methylhydrazine

C11H19F3N2 — CID 126510146

IUPAC1-[(1E,3E)-2-tert-butyl-3-(difluoromethyl)-1-fluoropenta-1,3-dienyl]-1-methylhydrazine
SMILESC/C=C(C(=C(\F)N(C)N)\C(C)(C)C)/C(F)F
InChIInChI=1S/C11H19F3N2/c1-6-7(9(12)13)8(11(2,3)4)10(14)16(5)15/h6,9H,15H2,1-5H3/b7-6+,10-8+
InChIKeyUEKKICPGWRKWJL-LQPGMRSMSA-N
MW236.28 g/mol
LogP3.23
Rot. Bonds3

About 1-[(1E,3E)-2-tert-butyl-3-(difluoromethyl)-1-fluoropenta-1,3-dienyl]-1-methylhydrazine

1-[(1E,3E)-2-tert-butyl-3-(difluoromethyl)-1-fluoropenta-1,3-dienyl]-1-methylhydrazine (PubChem CID 126510146) has the molecular formula C11H19F3N2 and a molecular weight of 236.28 g/mol. Its IUPAC name is 1-[(1E,3E)-2-tert-butyl-3-(difluoromethyl)-1-fluoropenta-1,3-dienyl]-1-methylhydrazine.

Molecular Properties

Compound Name1-[(1E,3E)-2-tert-butyl-3-(difluoromethyl)-1-fluoropenta-1,3-dienyl]-1-methylhydrazine
PubChem CID126510146
Molecular FormulaC11H19F3N2
Molecular Weight236.28 g/mol
Exact Mass236.15
IUPAC Name1-[(1E,3E)-2-tert-butyl-3-(difluoromethyl)-1-fluoropenta-1,3-dienyl]-1-methylhydrazine
SMILESC/C=C(C(=C(\F)N(C)N)\C(C)(C)C)/C(F)F
InChIInChI=1S/C11H19F3N2/c1-6-7(9(12)13)8(11(2,3)4)10(14)16(5)15/h6,9H,15H2,1-5H3/b7-6+,10-8+
InChIKeyUEKKICPGWRKWJL-LQPGMRSMSA-N
XLogP3.23
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'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-[(1E,3E)-2-tert-butyl-3-(difluoromethyl)-1-fluoropenta-1,3-dienyl]-1-methylhydrazine?
The IUPAC name of 1-[(1E,3E)-2-tert-butyl-3-(difluoromethyl)-1-fluoropenta-1,3-dienyl]-1-methylhydrazine (CID 126510146) is 1-[(1E,3E)-2-tert-butyl-3-(difluoromethyl)-1-fluoropenta-1,3-dienyl]-1-methylhydrazine.
What is the SMILES notation for 1-[(1E,3E)-2-tert-butyl-3-(difluoromethyl)-1-fluoropenta-1,3-dienyl]-1-methylhydrazine?
The canonical SMILES for 1-[(1E,3E)-2-tert-butyl-3-(difluoromethyl)-1-fluoropenta-1,3-dienyl]-1-methylhydrazine is C/C=C(C(=C(\F)N(C)N)\C(C)(C)C)/C(F)F.
What is the InChIKey of 1-[(1E,3E)-2-tert-butyl-3-(difluoromethyl)-1-fluoropenta-1,3-dienyl]-1-methylhydrazine?
The InChIKey is UEKKICPGWRKWJL-LQPGMRSMSA-N. The full InChI is InChI=1S/C11H19F3N2/c1-6-7(9(12)13)8(11(2,3)4)10(14)16(5)15/h6,9H,15H2,1-5H3/b7-6+,10-8+.
What are the key properties of 1-[(1E,3E)-2-tert-butyl-3-(difluoromethyl)-1-fluoropenta-1,3-dienyl]-1-methylhydrazine?
1-[(1E,3E)-2-tert-butyl-3-(difluoromethyl)-1-fluoropenta-1,3-dienyl]-1-methylhydrazine has a molecular weight of 236.28 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1E,3E)-2-tert-butyl-3-(difluoromethyl)-1-fluoropenta-1,3-dienyl]-1-methylhydrazine is sourced from PubChem (CID 126510146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).