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

C7H7F5N4O — CID 114567822

IUPAC[4-(2,2-difluoroethoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
SMILESNNc1nc(OCC(F)F)cc(C(F)(F)F)n1
InChIInChI=1S/C7H7F5N4O/c8-4(9)2-17-5-1-3(7(10,11)12)14-6(15-5)16-13/h1,4H,2,13H2,(H,14,15,16)
InChIKeyZAFYXWZIPQCHOZ-UHFFFAOYSA-N
MW258.15 g/mol
LogP1.42
Rot. Bonds4

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

[4-(2,2-difluoroethoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine (PubChem CID 114567822) has the molecular formula C7H7F5N4O and a molecular weight of 258.15 g/mol. Its IUPAC name is [4-(2,2-difluoroethoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(2,2-difluoroethoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
PubChem CID114567822
Molecular FormulaC7H7F5N4O
Molecular Weight258.15 g/mol
Exact Mass258.05
IUPAC Name[4-(2,2-difluoroethoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
SMILESNNc1nc(OCC(F)F)cc(C(F)(F)F)n1
InChIInChI=1S/C7H7F5N4O/c8-4(9)2-17-5-1-3(7(10,11)12)14-6(15-5)16-13/h1,4H,2,13H2,(H,14,15,16)
InChIKeyZAFYXWZIPQCHOZ-UHFFFAOYSA-N
XLogP1.42
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.15
LogP ≤ 51.42
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

[4-(2,2,3,3,3-pentafluoropropoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567815
[4-(3,3-dimethylbutoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567814
[4-(cyclopentylmethoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567813
[4-(3,5-dimethylphenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567743
2-hydrazinyl-N-(2,2,3,3-tetrafluoropropyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114169698
N-methyl-4-(2,2,2-trifluoroethoxy)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566189
[4-(2-ethylphenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567761
N-methyl-4-[2-(2-methylpropoxy)ethoxy]-6-(trifluoromethyl)pyrimidin-2-amine
CID 106451304
[4-(2,3-difluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567786
[4-(2,4-dimethylphenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567733
[4-(oxan-4-yloxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567774
[4-(3-methoxyphenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567735

Frequently Asked Questions

What is the IUPAC name of [4-(2,2-difluoroethoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine?
The IUPAC name of [4-(2,2-difluoroethoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine (CID 114567822) is [4-(2,2-difluoroethoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [4-(2,2-difluoroethoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine?
The canonical SMILES for [4-(2,2-difluoroethoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine is NNc1nc(OCC(F)F)cc(C(F)(F)F)n1.
What is the InChIKey of [4-(2,2-difluoroethoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine?
The InChIKey is ZAFYXWZIPQCHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F5N4O/c8-4(9)2-17-5-1-3(7(10,11)12)14-6(15-5)16-13/h1,4H,2,13H2,(H,14,15,16).
What are the key properties of [4-(2,2-difluoroethoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine?
[4-(2,2-difluoroethoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine has a molecular weight of 258.15 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,2-difluoroethoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 114567822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).