[1-(2-fluoro-4,6-dimethylphenyl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine

C12H16F4N2O — CID 106884466

IUPAC[1-(2-fluoro-4,6-dimethylphenyl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine
SMILESCc1cc(C)c(C(COCC(F)(F)F)NN)c(F)c1
InChIInChI=1S/C12H16F4N2O/c1-7-3-8(2)11(9(13)4-7)10(18-17)5-19-6-12(14,15)16/h3-4,10,18H,5-6,17H2,1-2H3
InChIKeyDWCPYRSXCQURQU-UHFFFAOYSA-N
MW280.27 g/mol
LogP2.53
Rot. Bonds5

About [1-(2-fluoro-4,6-dimethylphenyl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine

[1-(2-fluoro-4,6-dimethylphenyl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine (PubChem CID 106884466) has the molecular formula C12H16F4N2O and a molecular weight of 280.27 g/mol. Its IUPAC name is [1-(2-fluoro-4,6-dimethylphenyl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(2-fluoro-4,6-dimethylphenyl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine
PubChem CID106884466
Molecular FormulaC12H16F4N2O
Molecular Weight280.27 g/mol
Exact Mass280.12
IUPAC Name[1-(2-fluoro-4,6-dimethylphenyl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine
SMILESCc1cc(C)c(C(COCC(F)(F)F)NN)c(F)c1
InChIInChI=1S/C12H16F4N2O/c1-7-3-8(2)11(9(13)4-7)10(18-17)5-19-6-12(14,15)16/h3-4,10,18H,5-6,17H2,1-2H3
InChIKeyDWCPYRSXCQURQU-UHFFFAOYSA-N
XLogP2.53
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.27
LogP ≤ 52.53
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-(3,4-dimethylphenyl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine
CID 103217414
[1-(3,5-difluorophenyl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine
CID 103217435
[4,4,4-trifluoro-1-(2,4,6-trimethylphenyl)butyl]hydrazine
CID 105313895
1-(2-fluoro-4,6-dimethylphenyl)heptylhydrazine
CID 106884598
N-[1-(2-fluoro-4,6-dimethylphenyl)-2-propoxyethyl]propan-1-amine
CID 106881429
1-(2-fluoro-4,6-dimethylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol
CID 106881222
[1-(5-methyl-1-benzofuran-2-yl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine
CID 103217797
[1-(2-fluoro-4,6-dimethylphenyl)-3-phenylpropyl]hydrazine
CID 106884252
[1-(2-fluoro-4,6-dimethylphenyl)-2-(4-methylphenyl)sulfanylethyl]hydrazine
CID 106884341
3,3,3-trifluoro-1-(2-fluoro-4,6-dimethylphenyl)propan-1-amine
CID 106881387
1-(2-fluoro-4,6-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanol
CID 106884137
[1-(2-fluoro-4,6-dimethylphenyl)-2-methylbutyl]hydrazine
CID 106884293

Frequently Asked Questions

What is the IUPAC name of [1-(2-fluoro-4,6-dimethylphenyl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine?
The IUPAC name of [1-(2-fluoro-4,6-dimethylphenyl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine (CID 106884466) is [1-(2-fluoro-4,6-dimethylphenyl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine.
What is the SMILES notation for [1-(2-fluoro-4,6-dimethylphenyl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine?
The canonical SMILES for [1-(2-fluoro-4,6-dimethylphenyl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine is Cc1cc(C)c(C(COCC(F)(F)F)NN)c(F)c1.
What is the InChIKey of [1-(2-fluoro-4,6-dimethylphenyl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine?
The InChIKey is DWCPYRSXCQURQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F4N2O/c1-7-3-8(2)11(9(13)4-7)10(18-17)5-19-6-12(14,15)16/h3-4,10,18H,5-6,17H2,1-2H3.
What are the key properties of [1-(2-fluoro-4,6-dimethylphenyl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine?
[1-(2-fluoro-4,6-dimethylphenyl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine has a molecular weight of 280.27 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluoro-4,6-dimethylphenyl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine is sourced from PubChem (CID 106884466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).