[1-(3-fluoro-4-methylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]hydrazine

C12H15F5N2O — CID 107130927

IUPAC[1-(3-fluoro-4-methylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]hydrazine
SMILESCc1ccc(C(COCC(F)(F)C(F)F)NN)cc1F
InChIInChI=1S/C12H15F5N2O/c1-7-2-3-8(4-9(7)13)10(19-18)5-20-6-12(16,17)11(14)15/h2-4,10-11,19H,5-6,18H2,1H3
InChIKeyTVUSPURQHVVECU-UHFFFAOYSA-N
MW298.25 g/mol
LogP2.56
Rot. Bonds7

About [1-(3-fluoro-4-methylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]hydrazine

[1-(3-fluoro-4-methylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]hydrazine (PubChem CID 107130927) has the molecular formula C12H15F5N2O and a molecular weight of 298.25 g/mol. Its IUPAC name is [1-(3-fluoro-4-methylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(3-fluoro-4-methylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]hydrazine
PubChem CID107130927
Molecular FormulaC12H15F5N2O
Molecular Weight298.25 g/mol
Exact Mass298.11
IUPAC Name[1-(3-fluoro-4-methylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]hydrazine
SMILESCc1ccc(C(COCC(F)(F)C(F)F)NN)cc1F
InChIInChI=1S/C12H15F5N2O/c1-7-2-3-8(4-9(7)13)10(19-18)5-20-6-12(16,17)11(14)15/h2-4,10-11,19H,5-6,18H2,1H3
InChIKeyTVUSPURQHVVECU-UHFFFAOYSA-N
XLogP2.56
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.25
LogP ≤ 52.56
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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-fluoro-3-methylphenyl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 103475495
[1-(3,4-dimethylphenyl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine
CID 103217414
[2-(2,2,3,3-tetrafluoropropoxy)-1-(2,4,5-trimethylphenyl)ethyl]hydrazine
CID 103477603
[1-(5-methyl-3-pyridinyl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]hydrazine
CID 103477544
[1-(3-fluoro-4-methylphenyl)-3-methoxy-3-methylbutyl]hydrazine
CID 107130939
1-(5-fluoro-2-methylphenyl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 103475580
1-(3-fluorophenyl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 103475476
[1-(2-methoxyphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]hydrazine
CID 103477696
[1-(2-methylpyrazol-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]hydrazine
CID 103477564
[1-(1-benzofuran-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]hydrazine
CID 103477764
[1-(3,4-difluorophenyl)-2-methoxyethyl]hydrazine
CID 105197185
[1-(2-fluoro-4,6-dimethylphenyl)-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine
CID 106884466

Frequently Asked Questions

What is the IUPAC name of [1-(3-fluoro-4-methylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]hydrazine?
The IUPAC name of [1-(3-fluoro-4-methylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]hydrazine (CID 107130927) is [1-(3-fluoro-4-methylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]hydrazine.
What is the SMILES notation for [1-(3-fluoro-4-methylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]hydrazine?
The canonical SMILES for [1-(3-fluoro-4-methylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]hydrazine is Cc1ccc(C(COCC(F)(F)C(F)F)NN)cc1F.
What is the InChIKey of [1-(3-fluoro-4-methylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]hydrazine?
The InChIKey is TVUSPURQHVVECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F5N2O/c1-7-2-3-8(4-9(7)13)10(19-18)5-20-6-12(16,17)11(14)15/h2-4,10-11,19H,5-6,18H2,1H3.
What are the key properties of [1-(3-fluoro-4-methylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]hydrazine?
[1-(3-fluoro-4-methylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]hydrazine has a molecular weight of 298.25 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-fluoro-4-methylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]hydrazine is sourced from PubChem (CID 107130927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).