1-methyl-1-[4-(trifluoromethyl)penta-2,4-dien-2-yl]hydrazine

C7H11F3N2 — CID 123378318

IUPAC1-methyl-1-[4-(trifluoromethyl)penta-2,4-dien-2-yl]hydrazine
SMILESC=C(C=C(C)N(C)N)C(F)(F)F
InChIInChI=1S/C7H11F3N2/c1-5(7(8,9)10)4-6(2)12(3)11/h4H,1,11H2,2-3H3
InChIKeyKGJCEOXPTDFENI-UHFFFAOYSA-N
MW180.17 g/mol
LogP1.81
Rot. Bonds2

About 1-methyl-1-[4-(trifluoromethyl)penta-2,4-dien-2-yl]hydrazine

1-methyl-1-[4-(trifluoromethyl)penta-2,4-dien-2-yl]hydrazine (PubChem CID 123378318) has the molecular formula C7H11F3N2 and a molecular weight of 180.17 g/mol. Its IUPAC name is 1-methyl-1-[4-(trifluoromethyl)penta-2,4-dien-2-yl]hydrazine.

Molecular Properties

Compound Name1-methyl-1-[4-(trifluoromethyl)penta-2,4-dien-2-yl]hydrazine
PubChem CID123378318
Molecular FormulaC7H11F3N2
Molecular Weight180.17 g/mol
Exact Mass180.09
IUPAC Name1-methyl-1-[4-(trifluoromethyl)penta-2,4-dien-2-yl]hydrazine
SMILESC=C(C=C(C)N(C)N)C(F)(F)F
InChIInChI=1S/C7H11F3N2/c1-5(7(8,9)10)4-6(2)12(3)11/h4H,1,11H2,2-3H3
InChIKeyKGJCEOXPTDFENI-UHFFFAOYSA-N
XLogP1.81
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2E,4E,6E)-4-[amino(methyl)amino]-6-(trifluoromethyl)octa-2,4,6-trien-3-amine
CID 134239276
1-methyl-1-[(4Z,6E)-2-methyl-6-(trifluoromethyl)octa-4,6-dien-4-yl]hydrazine
CID 135215887
1-methyl-1-[(Z)-5,5,5-trifluoropent-2-en-2-yl]hydrazine
CID 143512434
1-[(3Z,5E)-2-methyl-5-(trifluoromethyl)hepta-3,5-dien-3-yl]-1-propan-2-ylhydrazine
CID 156476918
1-methyl-1-[(Z)-1,1,1-trifluoropent-2-en-2-yl]hydrazine
CID 163507741
1-[(1E,3E)-3-(difluoromethyl)-1-fluoro-2-methylhexa-1,3-dienyl]-1-methylhydrazine
CID 163745516
6,7-Dimethyl-5-(trifluoromethyl)-2,3-dihydroazepin-1-amine
CID 153013336
3-(Difluoromethyl)-5-methyl-2-methylidenepyridin-1-amine
CID 159515003
3-Fluoro-5-methyl-2-methylidenepyridin-1-amine
CID 159920057
5-Methyl-2-methylidene-3-(trifluoromethyl)pyridin-1-amine
CID 160530659
1-[(Z)-6,6-difluoro-2-methyl-5-methylidenehept-3-en-3-yl]-1-ethylhydrazine
CID 162618943
1-methyl-1-[(2Z)-4-methylpenta-2,4-dien-2-yl]hydrazine
CID 89078252

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[4-(trifluoromethyl)penta-2,4-dien-2-yl]hydrazine?
The IUPAC name of 1-methyl-1-[4-(trifluoromethyl)penta-2,4-dien-2-yl]hydrazine (CID 123378318) is 1-methyl-1-[4-(trifluoromethyl)penta-2,4-dien-2-yl]hydrazine.
What is the SMILES notation for 1-methyl-1-[4-(trifluoromethyl)penta-2,4-dien-2-yl]hydrazine?
The canonical SMILES for 1-methyl-1-[4-(trifluoromethyl)penta-2,4-dien-2-yl]hydrazine is C=C(C=C(C)N(C)N)C(F)(F)F.
What is the InChIKey of 1-methyl-1-[4-(trifluoromethyl)penta-2,4-dien-2-yl]hydrazine?
The InChIKey is KGJCEOXPTDFENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2/c1-5(7(8,9)10)4-6(2)12(3)11/h4H,1,11H2,2-3H3.
What are the key properties of 1-methyl-1-[4-(trifluoromethyl)penta-2,4-dien-2-yl]hydrazine?
1-methyl-1-[4-(trifluoromethyl)penta-2,4-dien-2-yl]hydrazine has a molecular weight of 180.17 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[4-(trifluoromethyl)penta-2,4-dien-2-yl]hydrazine is sourced from PubChem (CID 123378318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).