[3-methyl-1-[4-(trifluoromethoxy)phenyl]but-3-enyl]hydrazine

C12H15F3N2O — CID 105319572

IUPAC[3-methyl-1-[4-(trifluoromethoxy)phenyl]but-3-enyl]hydrazine
SMILESC=C(C)CC(NN)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C12H15F3N2O/c1-8(2)7-11(17-16)9-3-5-10(6-4-9)18-12(13,14)15/h3-6,11,17H,1,7,16H2,2H3
InChIKeyWXKVIHNKYZXSNE-UHFFFAOYSA-N
MW260.26 g/mol
LogP3.06
Rot. Bonds5

About [3-methyl-1-[4-(trifluoromethoxy)phenyl]but-3-enyl]hydrazine

[3-methyl-1-[4-(trifluoromethoxy)phenyl]but-3-enyl]hydrazine (PubChem CID 105319572) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is [3-methyl-1-[4-(trifluoromethoxy)phenyl]but-3-enyl]hydrazine.

Molecular Properties

Compound Name[3-methyl-1-[4-(trifluoromethoxy)phenyl]but-3-enyl]hydrazine
PubChem CID105319572
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC Name[3-methyl-1-[4-(trifluoromethoxy)phenyl]but-3-enyl]hydrazine
SMILESC=C(C)CC(NN)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C12H15F3N2O/c1-8(2)7-11(17-16)9-3-5-10(6-4-9)18-12(13,14)15/h3-6,11,17H,1,7,16H2,2H3
InChIKeyWXKVIHNKYZXSNE-UHFFFAOYSA-N
XLogP3.06
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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

N-(2-methylprop-2-enyl)-1-[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine
CID 114615991
1-[4-(trifluoromethoxy)phenyl]butylhydrazine
CID 105282256
[3-methyl-1-(4-propan-2-ylphenyl)but-3-enyl]hydrazine
CID 105194172
N-ethyl-4-methyl-1-[4-(trifluoromethoxy)phenyl]pent-4-en-1-amine
CID 105039774
2-methyl-1-[4-(trifluoromethoxy)phenyl]prop-2-en-1-amine
CID 105005386
[2-propoxy-1-[4-(trifluoromethoxy)phenyl]ethyl]hydrazine
CID 105321443
1-[4-(trifluoromethoxy)phenyl]pent-4-ynylhydrazine
CID 105307892
1-[4-(trifluoromethoxy)phenyl]hex-5-enylhydrazine
CID 105311316
(3-methyl-1-naphthalen-2-ylbut-3-enyl)hydrazine
CID 105213410
[4-methylsulfonyl-1-[4-(trifluoromethoxy)phenyl]butyl]hydrazine
CID 105290912
[2,2-dimethyl-1-[4-(trifluoromethoxy)phenyl]propyl]hydrazine
CID 105305314
(1R)-N-methyl-1-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 141191403

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-[4-(trifluoromethoxy)phenyl]but-3-enyl]hydrazine?
The IUPAC name of [3-methyl-1-[4-(trifluoromethoxy)phenyl]but-3-enyl]hydrazine (CID 105319572) is [3-methyl-1-[4-(trifluoromethoxy)phenyl]but-3-enyl]hydrazine.
What is the SMILES notation for [3-methyl-1-[4-(trifluoromethoxy)phenyl]but-3-enyl]hydrazine?
The canonical SMILES for [3-methyl-1-[4-(trifluoromethoxy)phenyl]but-3-enyl]hydrazine is C=C(C)CC(NN)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of [3-methyl-1-[4-(trifluoromethoxy)phenyl]but-3-enyl]hydrazine?
The InChIKey is WXKVIHNKYZXSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O/c1-8(2)7-11(17-16)9-3-5-10(6-4-9)18-12(13,14)15/h3-6,11,17H,1,7,16H2,2H3.
What are the key properties of [3-methyl-1-[4-(trifluoromethoxy)phenyl]but-3-enyl]hydrazine?
[3-methyl-1-[4-(trifluoromethoxy)phenyl]but-3-enyl]hydrazine has a molecular weight of 260.26 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-[4-(trifluoromethoxy)phenyl]but-3-enyl]hydrazine is sourced from PubChem (CID 105319572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).