[1-(4-fluoro-2-methylphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine

C12H16F4N2O — CID 103217827

IUPAC[1-(4-fluoro-2-methylphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine
SMILESCc1cc(F)ccc1CC(COCC(F)(F)F)NN
InChIInChI=1S/C12H16F4N2O/c1-8-4-10(13)3-2-9(8)5-11(18-17)6-19-7-12(14,15)16/h2-4,11,18H,5-7,17H2,1H3
InChIKeyBLSPIEDIXISAFT-UHFFFAOYSA-N
MW280.27 g/mol
LogP2.09
Rot. Bonds6

About [1-(4-fluoro-2-methylphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine

[1-(4-fluoro-2-methylphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine (PubChem CID 103217827) has the molecular formula C12H16F4N2O and a molecular weight of 280.27 g/mol. Its IUPAC name is [1-(4-fluoro-2-methylphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(4-fluoro-2-methylphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine
PubChem CID103217827
Molecular FormulaC12H16F4N2O
Molecular Weight280.27 g/mol
Exact Mass280.12
IUPAC Name[1-(4-fluoro-2-methylphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine
SMILESCc1cc(F)ccc1CC(COCC(F)(F)F)NN
InChIInChI=1S/C12H16F4N2O/c1-8-4-10(13)3-2-9(8)5-11(18-17)6-19-7-12(14,15)16/h2-4,11,18H,5-7,17H2,1H3
InChIKeyBLSPIEDIXISAFT-UHFFFAOYSA-N
XLogP2.09
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.27
LogP ≤ 52.09
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-(5-fluoro-2-methylphenyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103216517
[1-(2-bromo-4-fluorophenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-yl]hydrazine
CID 103477734
[1-(2-bromo-5-methoxyphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine
CID 103217513
[1-phenyl-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine
CID 103217246
[1-(4-tert-butylphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine
CID 103217379
[1-(4-fluoro-2-methylphenyl)-3-thiophen-2-ylpropan-2-yl]hydrazine
CID 105211952
[4-cyclohexyl-1-(4-fluoro-2-methylphenyl)butan-2-yl]hydrazine
CID 105340839
[1-(5-fluoro-2-methylphenyl)-4,4-dimethylpentan-2-yl]hydrazine
CID 105377796
[1-methoxy-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine
CID 103217630
[1-cyclopentylsulfanyl-3-(4-fluoro-2-methylphenyl)propan-2-yl]hydrazine
CID 105227601
[1-(2-chloro-4-fluorophenyl)-3-(3,5-dimethylphenyl)propan-2-yl]hydrazine
CID 105212582
[1-(5-ethyl-2-pyridinyl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine
CID 103217657

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluoro-2-methylphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine?
The IUPAC name of [1-(4-fluoro-2-methylphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine (CID 103217827) is [1-(4-fluoro-2-methylphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine.
What is the SMILES notation for [1-(4-fluoro-2-methylphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine?
The canonical SMILES for [1-(4-fluoro-2-methylphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine is Cc1cc(F)ccc1CC(COCC(F)(F)F)NN.
What is the InChIKey of [1-(4-fluoro-2-methylphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine?
The InChIKey is BLSPIEDIXISAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F4N2O/c1-8-4-10(13)3-2-9(8)5-11(18-17)6-19-7-12(14,15)16/h2-4,11,18H,5-7,17H2,1H3.
What are the key properties of [1-(4-fluoro-2-methylphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine?
[1-(4-fluoro-2-methylphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine has a molecular weight of 280.27 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluoro-2-methylphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine is sourced from PubChem (CID 103217827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).