[3-methyl-1-(3,4,5-trifluorophenyl)but-2-enyl]hydrazine

C11H13F3N2 — CID 105208223

IUPAC[3-methyl-1-(3,4,5-trifluorophenyl)but-2-enyl]hydrazine
SMILESCC(C)=CC(NN)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C11H13F3N2/c1-6(2)3-10(16-15)7-4-8(12)11(14)9(13)5-7/h3-5,10,16H,15H2,1-2H3
InChIKeyJWACTCLREFMGPR-UHFFFAOYSA-N
MW230.23 g/mol
LogP2.57
Rot. Bonds3

About [3-methyl-1-(3,4,5-trifluorophenyl)but-2-enyl]hydrazine

[3-methyl-1-(3,4,5-trifluorophenyl)but-2-enyl]hydrazine (PubChem CID 105208223) has the molecular formula C11H13F3N2 and a molecular weight of 230.23 g/mol. Its IUPAC name is [3-methyl-1-(3,4,5-trifluorophenyl)but-2-enyl]hydrazine.

Molecular Properties

Compound Name[3-methyl-1-(3,4,5-trifluorophenyl)but-2-enyl]hydrazine
PubChem CID105208223
Molecular FormulaC11H13F3N2
Molecular Weight230.23 g/mol
Exact Mass230.10
IUPAC Name[3-methyl-1-(3,4,5-trifluorophenyl)but-2-enyl]hydrazine
SMILESCC(C)=CC(NN)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C11H13F3N2/c1-6(2)3-10(16-15)7-4-8(12)11(14)9(13)5-7/h3-5,10,16H,15H2,1-2H3
InChIKeyJWACTCLREFMGPR-UHFFFAOYSA-N
XLogP2.57
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[1-(4-fluorophenyl)-3-methylbut-2-enyl]hydrazine
CID 105192857
[1-(5-chloro-2-fluorophenyl)-3-methylbut-2-enyl]hydrazine
CID 105280246
[3-methyl-1-(4-methylphenyl)but-2-enyl]hydrazine
CID 105194488
1-(4-bromo-2,6-difluorophenyl)-N,3-dimethylbut-2-en-1-amine
CID 105004849
[1-(4,5-dibromothiophen-2-yl)-3-methylbut-2-enyl]hydrazine
CID 105319938
[3-methyl-1-(4-methylthiophen-3-yl)but-2-enyl]hydrazine
CID 105251950
1-(3-fluoro-4-methylphenyl)-3-methylbut-2-en-1-amine
CID 79190938
1-(4-bromo-3-fluorophenyl)-N-ethyl-3-methylbut-2-en-1-amine
CID 105004964
[1-(5-bromo-4-methylthiophen-2-yl)-3-methylbut-2-enyl]hydrazine
CID 105319885
[5,5-dimethyl-1-(3,4,5-trifluorophenyl)hexyl]hydrazine
CID 114211448
[1-(5-chlorofuran-2-yl)-3-methylbut-2-enyl]hydrazine
CID 106694554
[1-(5-bromofuran-2-yl)-3-methylbut-2-enyl]hydrazine
CID 105319933

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-(3,4,5-trifluorophenyl)but-2-enyl]hydrazine?
The IUPAC name of [3-methyl-1-(3,4,5-trifluorophenyl)but-2-enyl]hydrazine (CID 105208223) is [3-methyl-1-(3,4,5-trifluorophenyl)but-2-enyl]hydrazine.
What is the SMILES notation for [3-methyl-1-(3,4,5-trifluorophenyl)but-2-enyl]hydrazine?
The canonical SMILES for [3-methyl-1-(3,4,5-trifluorophenyl)but-2-enyl]hydrazine is CC(C)=CC(NN)c1cc(F)c(F)c(F)c1.
What is the InChIKey of [3-methyl-1-(3,4,5-trifluorophenyl)but-2-enyl]hydrazine?
The InChIKey is JWACTCLREFMGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2/c1-6(2)3-10(16-15)7-4-8(12)11(14)9(13)5-7/h3-5,10,16H,15H2,1-2H3.
What are the key properties of [3-methyl-1-(3,4,5-trifluorophenyl)but-2-enyl]hydrazine?
[3-methyl-1-(3,4,5-trifluorophenyl)but-2-enyl]hydrazine has a molecular weight of 230.23 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-(3,4,5-trifluorophenyl)but-2-enyl]hydrazine is sourced from PubChem (CID 105208223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).