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

C11H8ClF3N4O — CID 114567750

IUPAC[4-(3-chlorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
SMILESNNc1nc(Oc2cccc(Cl)c2)cc(C(F)(F)F)n1
InChIInChI=1S/C11H8ClF3N4O/c12-6-2-1-3-7(4-6)20-9-5-8(11(13,14)15)17-10(18-9)19-16/h1-5H,16H2,(H,17,18,19)
InChIKeyHMNHQJGTADQEOI-UHFFFAOYSA-N
MW304.66 g/mol
LogP3.23
Rot. Bonds3

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

[4-(3-chlorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine (PubChem CID 114567750) has the molecular formula C11H8ClF3N4O and a molecular weight of 304.66 g/mol. Its IUPAC name is [4-(3-chlorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(3-chlorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
PubChem CID114567750
Molecular FormulaC11H8ClF3N4O
Molecular Weight304.66 g/mol
Exact Mass304.03
IUPAC Name[4-(3-chlorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
SMILESNNc1nc(Oc2cccc(Cl)c2)cc(C(F)(F)F)n1
InChIInChI=1S/C11H8ClF3N4O/c12-6-2-1-3-7(4-6)20-9-5-8(11(13,14)15)17-10(18-9)19-16/h1-5H,16H2,(H,17,18,19)
InChIKeyHMNHQJGTADQEOI-UHFFFAOYSA-N
XLogP3.23
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.66
LogP ≤ 53.23
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'}

Analyze [4-(3-chlorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(3-methoxyphenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567735
[4-(2-bromo-4-chlorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567756
[4-(3,5-dimethylphenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567743
[4-(3-chlorophenoxy)pyrimidin-2-yl]hydrazine
CID 80916101
[4-(2,3-difluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567786
[4-(2-ethylphenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567761
[4-(2,4-dimethylphenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567733
[2-(3-chlorophenoxy)-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 79869812
6-(3-chlorophenoxy)-N-ethyl-4-(trifluoromethyl)pyridin-2-amine
CID 102719846
[4-(2,2,3,3,3-pentafluoropropoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567815
[4-(2,2-difluoroethoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567822
N-(2,3-dichlorophenyl)-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 114567317

Frequently Asked Questions

What is the IUPAC name of [4-(3-chlorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine?
The IUPAC name of [4-(3-chlorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine (CID 114567750) is [4-(3-chlorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [4-(3-chlorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine?
The canonical SMILES for [4-(3-chlorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine is NNc1nc(Oc2cccc(Cl)c2)cc(C(F)(F)F)n1.
What is the InChIKey of [4-(3-chlorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine?
The InChIKey is HMNHQJGTADQEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF3N4O/c12-6-2-1-3-7(4-6)20-9-5-8(11(13,14)15)17-10(18-9)19-16/h1-5H,16H2,(H,17,18,19).
What are the key properties of [4-(3-chlorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine?
[4-(3-chlorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine has a molecular weight of 304.66 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chlorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 114567750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).