1-phenyl-2-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]methyl]hydrazine

C18H15F3N4O — CID 169385481

IUPAC1-phenyl-2-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]methyl]hydrazine
SMILESFC(F)(F)c1ccnc(Oc2ccc(CNNc3ccccc3)cc2)n1
InChIInChI=1S/C18H15F3N4O/c19-18(20,21)16-10-11-22-17(24-16)26-15-8-6-13(7-9-15)12-23-25-14-4-2-1-3-5-14/h1-11,23,25H,12H2
InChIKeyREEZDEZUUKTKTB-UHFFFAOYSA-N
MW360.34 g/mol
LogP4.40
Rot. Bonds6

About 1-phenyl-2-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]methyl]hydrazine

1-phenyl-2-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]methyl]hydrazine (PubChem CID 169385481) has the molecular formula C18H15F3N4O and a molecular weight of 360.34 g/mol. Its IUPAC name is 1-phenyl-2-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]methyl]hydrazine.

Molecular Properties

Compound Name1-phenyl-2-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]methyl]hydrazine
PubChem CID169385481
Molecular FormulaC18H15F3N4O
Molecular Weight360.34 g/mol
Exact Mass360.12
IUPAC Name1-phenyl-2-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]methyl]hydrazine
SMILESFC(F)(F)c1ccnc(Oc2ccc(CNNc3ccccc3)cc2)n1
InChIInChI=1S/C18H15F3N4O/c19-18(20,21)16-10-11-22-17(24-16)26-15-8-6-13(7-9-15)12-23-25-14-4-2-1-3-5-14/h1-11,23,25H,12H2
InChIKeyREEZDEZUUKTKTB-UHFFFAOYSA-N
XLogP4.40
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.34
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]methyl]hydrazine?
The IUPAC name of 1-phenyl-2-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]methyl]hydrazine (CID 169385481) is 1-phenyl-2-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]methyl]hydrazine.
What is the SMILES notation for 1-phenyl-2-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]methyl]hydrazine?
The canonical SMILES for 1-phenyl-2-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]methyl]hydrazine is FC(F)(F)c1ccnc(Oc2ccc(CNNc3ccccc3)cc2)n1.
What is the InChIKey of 1-phenyl-2-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]methyl]hydrazine?
The InChIKey is REEZDEZUUKTKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O/c19-18(20,21)16-10-11-22-17(24-16)26-15-8-6-13(7-9-15)12-23-25-14-4-2-1-3-5-14/h1-11,23,25H,12H2.
What are the key properties of 1-phenyl-2-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]methyl]hydrazine?
1-phenyl-2-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]methyl]hydrazine has a molecular weight of 360.34 g/mol, XLogP of 4.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]methyl]hydrazine is sourced from PubChem (CID 169385481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).