[6-(2-fluoro-5-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine

C12H10F4N4O — CID 106776454

IUPAC[6-(2-fluoro-5-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
SMILESCc1ccc(F)c(Oc2cc(NN)nc(C(F)(F)F)n2)c1
InChIInChI=1S/C12H10F4N4O/c1-6-2-3-7(13)8(4-6)21-10-5-9(20-17)18-11(19-10)12(14,15)16/h2-5H,17H2,1H3,(H,18,19,20)
InChIKeyBJBMWUJSZSORFH-UHFFFAOYSA-N
MW302.23 g/mol
LogP3.02
Rot. Bonds3

About [6-(2-fluoro-5-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine

[6-(2-fluoro-5-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine (PubChem CID 106776454) has the molecular formula C12H10F4N4O and a molecular weight of 302.23 g/mol. Its IUPAC name is [6-(2-fluoro-5-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(2-fluoro-5-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
PubChem CID106776454
Molecular FormulaC12H10F4N4O
Molecular Weight302.23 g/mol
Exact Mass302.08
IUPAC Name[6-(2-fluoro-5-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
SMILESCc1ccc(F)c(Oc2cc(NN)nc(C(F)(F)F)n2)c1
InChIInChI=1S/C12H10F4N4O/c1-6-2-3-7(13)8(4-6)21-10-5-9(20-17)18-11(19-10)12(14,15)16/h2-5H,17H2,1H3,(H,18,19,20)
InChIKeyBJBMWUJSZSORFH-UHFFFAOYSA-N
XLogP3.02
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.23
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

[6-(2,5-dimethylphenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776371
[6-(5-fluoro-2-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776494
[6-(3,4-difluorophenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776400
[6-(4-bromo-2-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776430
N-(2-fluoro-5-methylphenyl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775814
[6-(2-bromo-5-fluorophenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776470
[6-(3-fluorophenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776384
[6-(2,5-dimethylphenoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 102721260
[6-(4-bromo-3-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776480
2-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]oxybenzonitrile
CID 106776357
6-(2,5-dimethylphenoxy)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774078
[6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776501

Frequently Asked Questions

What is the IUPAC name of [6-(2-fluoro-5-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(2-fluoro-5-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine (CID 106776454) is [6-(2-fluoro-5-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(2-fluoro-5-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(2-fluoro-5-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine is Cc1ccc(F)c(Oc2cc(NN)nc(C(F)(F)F)n2)c1.
What is the InChIKey of [6-(2-fluoro-5-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
The InChIKey is BJBMWUJSZSORFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F4N4O/c1-6-2-3-7(13)8(4-6)21-10-5-9(20-17)18-11(19-10)12(14,15)16/h2-5H,17H2,1H3,(H,18,19,20).
What are the key properties of [6-(2-fluoro-5-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
[6-(2-fluoro-5-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine has a molecular weight of 302.23 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-fluoro-5-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 106776454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).