[6-(3-fluorophenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine

C11H8F4N4O — CID 106776384

IUPAC[6-(3-fluorophenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
SMILESNNc1cc(Oc2cccc(F)c2)nc(C(F)(F)F)n1
InChIInChI=1S/C11H8F4N4O/c12-6-2-1-3-7(4-6)20-9-5-8(19-16)17-10(18-9)11(13,14)15/h1-5H,16H2,(H,17,18,19)
InChIKeyGCJZRIGHWXLUPO-UHFFFAOYSA-N
MW288.20 g/mol
LogP2.71
Rot. Bonds3

About [6-(3-fluorophenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine

[6-(3-fluorophenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine (PubChem CID 106776384) has the molecular formula C11H8F4N4O and a molecular weight of 288.20 g/mol. Its IUPAC name is [6-(3-fluorophenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(3-fluorophenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
PubChem CID106776384
Molecular FormulaC11H8F4N4O
Molecular Weight288.20 g/mol
Exact Mass288.06
IUPAC Name[6-(3-fluorophenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
SMILESNNc1cc(Oc2cccc(F)c2)nc(C(F)(F)F)n1
InChIInChI=1S/C11H8F4N4O/c12-6-2-1-3-7(4-6)20-9-5-8(19-16)17-10(18-9)11(13,14)15/h1-5H,16H2,(H,17,18,19)
InChIKeyGCJZRIGHWXLUPO-UHFFFAOYSA-N
XLogP2.71
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.20
LogP ≤ 52.71
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

[2-tert-butyl-6-(3-fluorophenoxy)pyrimidin-4-yl]hydrazine
CID 80979164
[6-(3,4-difluorophenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776400
[6-(3-fluorophenoxy)-2-methylpyrimidin-4-yl]hydrazine
CID 80916968
4-chloro-6-(3-fluorophenoxy)-2-(trifluoromethyl)pyrimidine
CID 106766711
[6-(2-bromo-5-fluorophenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776470
[6-(5-fluoro-2-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776494
2-tert-butyl-6-(3-fluorophenoxy)-N-methylpyrimidin-4-amine
CID 80965315
[6-(4-bromo-3-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776480
[6-(2-fluoro-5-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776454
[6-(2,5-dimethylphenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776371
2-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]oxybenzonitrile
CID 106776357
[6-(3-methylphenoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 102721263

Frequently Asked Questions

What is the IUPAC name of [6-(3-fluorophenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(3-fluorophenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine (CID 106776384) is [6-(3-fluorophenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(3-fluorophenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(3-fluorophenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine is NNc1cc(Oc2cccc(F)c2)nc(C(F)(F)F)n1.
What is the InChIKey of [6-(3-fluorophenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
The InChIKey is GCJZRIGHWXLUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F4N4O/c12-6-2-1-3-7(4-6)20-9-5-8(19-16)17-10(18-9)11(13,14)15/h1-5H,16H2,(H,17,18,19).
What are the key properties of [6-(3-fluorophenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
[6-(3-fluorophenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine has a molecular weight of 288.20 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-fluorophenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 106776384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).