1-methyl-2-[(4E)-2-methyl-4-(trifluoromethyl)hexa-2,4-dien-3-yl]hydrazine

C9H15F3N2 — CID 162609670

IUPAC1-methyl-2-[(4E)-2-methyl-4-(trifluoromethyl)hexa-2,4-dien-3-yl]hydrazine
SMILESC/C=C(\C(NNC)=C(C)C)C(F)(F)F
InChIInChI=1S/C9H15F3N2/c1-5-7(9(10,11)12)8(6(2)3)14-13-4/h5,13-14H,1-4H3/b7-5+
InChIKeyQXXGVLUQAXYQFJ-FNORWQNLSA-N
MW208.23 g/mol
LogP2.51
Rot. Bonds3

About 1-methyl-2-[(4E)-2-methyl-4-(trifluoromethyl)hexa-2,4-dien-3-yl]hydrazine

1-methyl-2-[(4E)-2-methyl-4-(trifluoromethyl)hexa-2,4-dien-3-yl]hydrazine (PubChem CID 162609670) has the molecular formula C9H15F3N2 and a molecular weight of 208.23 g/mol. Its IUPAC name is 1-methyl-2-[(4E)-2-methyl-4-(trifluoromethyl)hexa-2,4-dien-3-yl]hydrazine.

Molecular Properties

Compound Name1-methyl-2-[(4E)-2-methyl-4-(trifluoromethyl)hexa-2,4-dien-3-yl]hydrazine
PubChem CID162609670
Molecular FormulaC9H15F3N2
Molecular Weight208.23 g/mol
Exact Mass208.12
IUPAC Name1-methyl-2-[(4E)-2-methyl-4-(trifluoromethyl)hexa-2,4-dien-3-yl]hydrazine
SMILESC/C=C(\C(NNC)=C(C)C)C(F)(F)F
InChIInChI=1S/C9H15F3N2/c1-5-7(9(10,11)12)8(6(2)3)14-13-4/h5,13-14H,1-4H3/b7-5+
InChIKeyQXXGVLUQAXYQFJ-FNORWQNLSA-N
XLogP2.51
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 52.51
H-Bond Donors ≤ 52
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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Related Compounds

4-(1,1-difluoropropyl)-5-[(3E)-4-methylhexa-1,3-dien-3-yl]-2,3-dihydro-1H-triazole
CID 121277551
4-(1,1-difluoropropyl)-5-[(3E)-4-methylhexa-1,3,5-trien-3-yl]-2,3-dihydro-1H-triazole
CID 129041434
(1E,3E,5E)-6-hydrazinyl-3-(trifluoromethyl)octa-1,3,5-trien-1-amine
CID 138535212
ethane;[(2E,4E)-6-methyl-4-(trifluoromethyl)hepta-2,4,6-trien-2-yl]hydrazine
CID 143772148
[(3E,5Z)-3-fluoro-4-methylhepta-1,3,5-trien-2-yl]hydrazine
CID 143782177
6-(1,1-difluoroethyl)-4-methyl-2,3-dihydro-1H-diazepine
CID 156235698
[(3E)-5-fluoro-2-methylhexa-1,3,5-trien-3-yl]hydrazine
CID 156837174
N,3-dimethyl-6-methylidene-5-(trifluoromethyl)-2H-pyridin-2-id-1-amine;yttrium
CID 161823291
[(Z)-5,5-difluoro-2-methyl-4-methylidenehex-2-enyl]hydrazine
CID 166833684
1-methyl-2-[(3E)-3-(trifluoromethyl)penta-1,3-dien-2-yl]hydrazine
CID 169603941
[(2E,4E)-6-methyl-4-(trifluoromethyl)hepta-2,4,6-trien-2-yl]hydrazine
CID 143772149
(4E,6E)-2,5,6-trimethyl-7-(2-methylhydrazinyl)octa-2,4,6-trien-3-amine
CID 130320073

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[(4E)-2-methyl-4-(trifluoromethyl)hexa-2,4-dien-3-yl]hydrazine?
The IUPAC name of 1-methyl-2-[(4E)-2-methyl-4-(trifluoromethyl)hexa-2,4-dien-3-yl]hydrazine (CID 162609670) is 1-methyl-2-[(4E)-2-methyl-4-(trifluoromethyl)hexa-2,4-dien-3-yl]hydrazine.
What is the SMILES notation for 1-methyl-2-[(4E)-2-methyl-4-(trifluoromethyl)hexa-2,4-dien-3-yl]hydrazine?
The canonical SMILES for 1-methyl-2-[(4E)-2-methyl-4-(trifluoromethyl)hexa-2,4-dien-3-yl]hydrazine is C/C=C(\C(NNC)=C(C)C)C(F)(F)F.
What is the InChIKey of 1-methyl-2-[(4E)-2-methyl-4-(trifluoromethyl)hexa-2,4-dien-3-yl]hydrazine?
The InChIKey is QXXGVLUQAXYQFJ-FNORWQNLSA-N. The full InChI is InChI=1S/C9H15F3N2/c1-5-7(9(10,11)12)8(6(2)3)14-13-4/h5,13-14H,1-4H3/b7-5+.
What are the key properties of 1-methyl-2-[(4E)-2-methyl-4-(trifluoromethyl)hexa-2,4-dien-3-yl]hydrazine?
1-methyl-2-[(4E)-2-methyl-4-(trifluoromethyl)hexa-2,4-dien-3-yl]hydrazine has a molecular weight of 208.23 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[(4E)-2-methyl-4-(trifluoromethyl)hexa-2,4-dien-3-yl]hydrazine is sourced from PubChem (CID 162609670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).