1-[(1E,3E)-3-(difluoromethyl)-1-fluoro-2-methylhexa-1,3-dienyl]-1-methylhydrazine

C9H15F3N2 — CID 163745516

IUPAC1-[(1E,3E)-3-(difluoromethyl)-1-fluoro-2-methylhexa-1,3-dienyl]-1-methylhydrazine
SMILESCC/C=C(C(\C)=C(\F)N(C)N)/C(F)F
InChIInChI=1S/C9H15F3N2/c1-4-5-7(8(10)11)6(2)9(12)14(3)13/h5,8H,4,13H2,1-3H3/b7-5+,9-6-
InChIKeyLLNFBYAIDBBFGP-BEDCHXNXSA-N
MW208.23 g/mol
LogP2.59
Rot. Bonds4

About 1-[(1E,3E)-3-(difluoromethyl)-1-fluoro-2-methylhexa-1,3-dienyl]-1-methylhydrazine

1-[(1E,3E)-3-(difluoromethyl)-1-fluoro-2-methylhexa-1,3-dienyl]-1-methylhydrazine (PubChem CID 163745516) has the molecular formula C9H15F3N2 and a molecular weight of 208.23 g/mol. Its IUPAC name is 1-[(1E,3E)-3-(difluoromethyl)-1-fluoro-2-methylhexa-1,3-dienyl]-1-methylhydrazine.

Molecular Properties

Compound Name1-[(1E,3E)-3-(difluoromethyl)-1-fluoro-2-methylhexa-1,3-dienyl]-1-methylhydrazine
PubChem CID163745516
Molecular FormulaC9H15F3N2
Molecular Weight208.23 g/mol
Exact Mass208.12
IUPAC Name1-[(1E,3E)-3-(difluoromethyl)-1-fluoro-2-methylhexa-1,3-dienyl]-1-methylhydrazine
SMILESCC/C=C(C(\C)=C(\F)N(C)N)/C(F)F
InChIInChI=1S/C9H15F3N2/c1-4-5-7(8(10)11)6(2)9(12)14(3)13/h5,8H,4,13H2,1-3H3/b7-5+,9-6-
InChIKeyLLNFBYAIDBBFGP-BEDCHXNXSA-N
XLogP2.59
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 52.59
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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Related Compounds

1-Methyl-1-[4-(trifluoromethyl)penta-2,4-dien-2-yl]hydrazine
CID 123378318
1-[(1E,3E)-2-tert-butyl-3-(difluoromethyl)-1-fluoropenta-1,3-dienyl]-1-methylhydrazine
CID 126510146

Frequently Asked Questions

What is the IUPAC name of 1-[(1E,3E)-3-(difluoromethyl)-1-fluoro-2-methylhexa-1,3-dienyl]-1-methylhydrazine?
The IUPAC name of 1-[(1E,3E)-3-(difluoromethyl)-1-fluoro-2-methylhexa-1,3-dienyl]-1-methylhydrazine (CID 163745516) is 1-[(1E,3E)-3-(difluoromethyl)-1-fluoro-2-methylhexa-1,3-dienyl]-1-methylhydrazine.
What is the SMILES notation for 1-[(1E,3E)-3-(difluoromethyl)-1-fluoro-2-methylhexa-1,3-dienyl]-1-methylhydrazine?
The canonical SMILES for 1-[(1E,3E)-3-(difluoromethyl)-1-fluoro-2-methylhexa-1,3-dienyl]-1-methylhydrazine is CC/C=C(C(\C)=C(\F)N(C)N)/C(F)F.
What is the InChIKey of 1-[(1E,3E)-3-(difluoromethyl)-1-fluoro-2-methylhexa-1,3-dienyl]-1-methylhydrazine?
The InChIKey is LLNFBYAIDBBFGP-BEDCHXNXSA-N. The full InChI is InChI=1S/C9H15F3N2/c1-4-5-7(8(10)11)6(2)9(12)14(3)13/h5,8H,4,13H2,1-3H3/b7-5+,9-6-.
What are the key properties of 1-[(1E,3E)-3-(difluoromethyl)-1-fluoro-2-methylhexa-1,3-dienyl]-1-methylhydrazine?
1-[(1E,3E)-3-(difluoromethyl)-1-fluoro-2-methylhexa-1,3-dienyl]-1-methylhydrazine has a molecular weight of 208.23 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1E,3E)-3-(difluoromethyl)-1-fluoro-2-methylhexa-1,3-dienyl]-1-methylhydrazine is sourced from PubChem (CID 163745516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).