[1-(3,4-dimethylphenyl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine

C12H17F3N2O — CID 103217414

IUPAC[1-(3,4-dimethylphenyl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine
SMILESCc1ccc(C(COCC(F)(F)F)NN)cc1C
InChIInChI=1S/C12H17F3N2O/c1-8-3-4-10(5-9(8)2)11(17-16)6-18-7-12(13,14)15/h3-5,11,17H,6-7,16H2,1-2H3
InChIKeyOUUVUOBGCKYLJY-UHFFFAOYSA-N
MW262.27 g/mol
LogP2.39
Rot. Bonds5

About [1-(3,4-dimethylphenyl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine

[1-(3,4-dimethylphenyl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine (PubChem CID 103217414) has the molecular formula C12H17F3N2O and a molecular weight of 262.27 g/mol. Its IUPAC name is [1-(3,4-dimethylphenyl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(3,4-dimethylphenyl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine
PubChem CID103217414
Molecular FormulaC12H17F3N2O
Molecular Weight262.27 g/mol
Exact Mass262.13
IUPAC Name[1-(3,4-dimethylphenyl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine
SMILESCc1ccc(C(COCC(F)(F)F)NN)cc1C
InChIInChI=1S/C12H17F3N2O/c1-8-3-4-10(5-9(8)2)11(17-16)6-18-7-12(13,14)15/h3-5,11,17H,6-7,16H2,1-2H3
InChIKeyOUUVUOBGCKYLJY-UHFFFAOYSA-N
XLogP2.39
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-(3-fluoro-4-methylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]hydrazine
CID 107130927
[1-(3,5-difluorophenyl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine
CID 103217435
[1-(2-fluoro-4,6-dimethylphenyl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine
CID 106884466
1-(4-fluoro-3-methylphenyl)-2-(2,2,2-trifluoroethoxy)ethanol
CID 103210363
[1-(3,4-dimethylphenyl)-4-methoxy-4-methylpentyl]hydrazine
CID 103026337
[1-(5-methyl-1-benzofuran-2-yl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine
CID 103217797
[1-(4-methoxy-3-methylphenyl)-2-propoxyethyl]hydrazine
CID 105258293
N-[1-(3,4-difluorophenyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 103207376
[1-(3,4-dimethylphenyl)-4-methoxybutyl]hydrazine
CID 105225093
[1-(3-chloro-4-methylphenyl)-4,4,4-trifluorobutyl]hydrazine
CID 105313900
1-(3,4-dimethylphenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103214766
[2-(2,2,3,3-tetrafluoropropoxy)-1-(2,4,5-trimethylphenyl)ethyl]hydrazine
CID 103477603

Frequently Asked Questions

What is the IUPAC name of [1-(3,4-dimethylphenyl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine?
The IUPAC name of [1-(3,4-dimethylphenyl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine (CID 103217414) is [1-(3,4-dimethylphenyl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine.
What is the SMILES notation for [1-(3,4-dimethylphenyl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine?
The canonical SMILES for [1-(3,4-dimethylphenyl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine is Cc1ccc(C(COCC(F)(F)F)NN)cc1C.
What is the InChIKey of [1-(3,4-dimethylphenyl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine?
The InChIKey is OUUVUOBGCKYLJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O/c1-8-3-4-10(5-9(8)2)11(17-16)6-18-7-12(13,14)15/h3-5,11,17H,6-7,16H2,1-2H3.
What are the key properties of [1-(3,4-dimethylphenyl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine?
[1-(3,4-dimethylphenyl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine has a molecular weight of 262.27 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-dimethylphenyl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine is sourced from PubChem (CID 103217414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).