1-methyl-2-[3-methyl-2-(trifluoromethyl)but-3-enyl]hydrazine

C7H13F3N2 — CID 165058297

IUPAC1-methyl-2-[3-methyl-2-(trifluoromethyl)but-3-enyl]hydrazine
SMILESC=C(C)C(CNNC)C(F)(F)F
InChIInChI=1S/C7H13F3N2/c1-5(2)6(4-12-11-3)7(8,9)10/h6,11-12H,1,4H2,2-3H3
InChIKeyQUGCEEYJJGJKON-UHFFFAOYSA-N
MW182.19 g/mol
LogP1.47
Rot. Bonds4

About 1-methyl-2-[3-methyl-2-(trifluoromethyl)but-3-enyl]hydrazine

1-methyl-2-[3-methyl-2-(trifluoromethyl)but-3-enyl]hydrazine (PubChem CID 165058297) has the molecular formula C7H13F3N2 and a molecular weight of 182.19 g/mol. Its IUPAC name is 1-methyl-2-[3-methyl-2-(trifluoromethyl)but-3-enyl]hydrazine.

Molecular Properties

Compound Name1-methyl-2-[3-methyl-2-(trifluoromethyl)but-3-enyl]hydrazine
PubChem CID165058297
Molecular FormulaC7H13F3N2
Molecular Weight182.19 g/mol
Exact Mass182.10
IUPAC Name1-methyl-2-[3-methyl-2-(trifluoromethyl)but-3-enyl]hydrazine
SMILESC=C(C)C(CNNC)C(F)(F)F
InChIInChI=1S/C7H13F3N2/c1-5(2)6(4-12-11-3)7(8,9)10/h6,11-12H,1,4H2,2-3H3
InChIKeyQUGCEEYJJGJKON-UHFFFAOYSA-N
XLogP1.47
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.19
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-Fluoro-2-methylpent-4-enyl)-2-methylhydrazine
CID 135275059
(1,1,1-Trifluoro-4-methylpent-4-en-2-yl)hydrazine
CID 105215814
(1,1-Difluoro-4-methylpent-4-en-2-yl)hydrazine
CID 105265225
(1,1-Difluoro-3-methylbut-3-en-2-yl)hydrazine
CID 105265234
3-(Trifluoromethyl)but-3-en-2-ylhydrazine
CID 130565177
1-(2,3-Dimethylbut-3-enyl)-2-methylhydrazine
CID 90964331
3-Methylbut-3-enylhydrazine
CID 105220819
(3-Methyl-2-methylidenebutyl)hydrazine
CID 168233362

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[3-methyl-2-(trifluoromethyl)but-3-enyl]hydrazine?
The IUPAC name of 1-methyl-2-[3-methyl-2-(trifluoromethyl)but-3-enyl]hydrazine (CID 165058297) is 1-methyl-2-[3-methyl-2-(trifluoromethyl)but-3-enyl]hydrazine.
What is the SMILES notation for 1-methyl-2-[3-methyl-2-(trifluoromethyl)but-3-enyl]hydrazine?
The canonical SMILES for 1-methyl-2-[3-methyl-2-(trifluoromethyl)but-3-enyl]hydrazine is C=C(C)C(CNNC)C(F)(F)F.
What is the InChIKey of 1-methyl-2-[3-methyl-2-(trifluoromethyl)but-3-enyl]hydrazine?
The InChIKey is QUGCEEYJJGJKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2/c1-5(2)6(4-12-11-3)7(8,9)10/h6,11-12H,1,4H2,2-3H3.
What are the key properties of 1-methyl-2-[3-methyl-2-(trifluoromethyl)but-3-enyl]hydrazine?
1-methyl-2-[3-methyl-2-(trifluoromethyl)but-3-enyl]hydrazine has a molecular weight of 182.19 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[3-methyl-2-(trifluoromethyl)but-3-enyl]hydrazine is sourced from PubChem (CID 165058297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).