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

C11H7F5N4O — CID 106776400

IUPAC[6-(3,4-difluorophenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
SMILESNNc1cc(Oc2ccc(F)c(F)c2)nc(C(F)(F)F)n1
InChIInChI=1S/C11H7F5N4O/c12-6-2-1-5(3-7(6)13)21-9-4-8(20-17)18-10(19-9)11(14,15)16/h1-4H,17H2,(H,18,19,20)
InChIKeyOIRDLOSZXVDMEQ-UHFFFAOYSA-N
MW306.19 g/mol
LogP2.85
Rot. Bonds3

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

[6-(3,4-difluorophenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine (PubChem CID 106776400) has the molecular formula C11H7F5N4O and a molecular weight of 306.19 g/mol. Its IUPAC name is [6-(3,4-difluorophenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(3,4-difluorophenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
PubChem CID106776400
Molecular FormulaC11H7F5N4O
Molecular Weight306.19 g/mol
Exact Mass306.05
IUPAC Name[6-(3,4-difluorophenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
SMILESNNc1cc(Oc2ccc(F)c(F)c2)nc(C(F)(F)F)n1
InChIInChI=1S/C11H7F5N4O/c12-6-2-1-5(3-7(6)13)21-9-4-8(20-17)18-10(19-9)11(14,15)16/h1-4H,17H2,(H,18,19,20)
InChIKeyOIRDLOSZXVDMEQ-UHFFFAOYSA-N
XLogP2.85
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.19
LogP ≤ 52.85
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-(3-fluorophenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776384
[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-(3-chloro-4-fluorophenoxy)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774577
[2-tert-butyl-6-(4-chlorophenoxy)pyrimidin-4-yl]hydrazine
CID 80968447
[6-(5-fluoro-2-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776494
[6-(2-bromo-5-fluorophenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776470
[6-(2,5-dimethylphenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776371
[2-tert-butyl-6-(3-fluorophenoxy)pyrimidin-4-yl]hydrazine
CID 80979164
6-(3-fluoro-4-methylphenoxy)-2-(trifluoromethyl)pyrimidin-4-amine
CID 107171778
[6-(1-propan-2-ylpyrazol-4-yl)oxy-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776489
[6-(4-fluorophenoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 102721265

Frequently Asked Questions

What is the IUPAC name of [6-(3,4-difluorophenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(3,4-difluorophenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine (CID 106776400) is [6-(3,4-difluorophenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(3,4-difluorophenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(3,4-difluorophenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine is NNc1cc(Oc2ccc(F)c(F)c2)nc(C(F)(F)F)n1.
What is the InChIKey of [6-(3,4-difluorophenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
The InChIKey is OIRDLOSZXVDMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F5N4O/c12-6-2-1-5(3-7(6)13)21-9-4-8(20-17)18-10(19-9)11(14,15)16/h1-4H,17H2,(H,18,19,20).
What are the key properties of [6-(3,4-difluorophenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
[6-(3,4-difluorophenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine has a molecular weight of 306.19 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3,4-difluorophenoxy)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 106776400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).