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

C8H6F8N4O — CID 114567815

IUPAC[4-(2,2,3,3,3-pentafluoropropoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
SMILESNNc1nc(OCC(F)(F)C(F)(F)F)cc(C(F)(F)F)n1
InChIInChI=1S/C8H6F8N4O/c9-6(10,8(14,15)16)2-21-4-1-3(7(11,12)13)18-5(19-4)20-17/h1H,2,17H2,(H,18,19,20)
InChIKeyNOAPXMNUNYDYAE-UHFFFAOYSA-N
MW326.15 g/mol
LogP2.36
Rot. Bonds4

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

[4-(2,2,3,3,3-pentafluoropropoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine (PubChem CID 114567815) has the molecular formula C8H6F8N4O and a molecular weight of 326.15 g/mol. Its IUPAC name is [4-(2,2,3,3,3-pentafluoropropoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(2,2,3,3,3-pentafluoropropoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
PubChem CID114567815
Molecular FormulaC8H6F8N4O
Molecular Weight326.15 g/mol
Exact Mass326.04
IUPAC Name[4-(2,2,3,3,3-pentafluoropropoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
SMILESNNc1nc(OCC(F)(F)C(F)(F)F)cc(C(F)(F)F)n1
InChIInChI=1S/C8H6F8N4O/c9-6(10,8(14,15)16)2-21-4-1-3(7(11,12)13)18-5(19-4)20-17/h1H,2,17H2,(H,18,19,20)
InChIKeyNOAPXMNUNYDYAE-UHFFFAOYSA-N
XLogP2.36
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.15
LogP ≤ 52.36
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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2,2,3,3,3-pentafluoropropoxy)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566550
[4-(2,2-difluoroethoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567822
[4-(3,3-dimethylbutoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567814
N-methyl-4-(2,2,2-trifluoroethoxy)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566189
[4-(cyclopentylmethoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567813
[4-(3,5-dimethylphenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567743
[4-(2-ethylphenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567761
[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
[6-(2,2,3,3,3-pentafluoropropoxy)pyrazin-2-yl]hydrazine
CID 80922935
[4-(3-methylcyclohexyl)oxy-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567693

Frequently Asked Questions

What is the IUPAC name of [4-(2,2,3,3,3-pentafluoropropoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine?
The IUPAC name of [4-(2,2,3,3,3-pentafluoropropoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine (CID 114567815) is [4-(2,2,3,3,3-pentafluoropropoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [4-(2,2,3,3,3-pentafluoropropoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine?
The canonical SMILES for [4-(2,2,3,3,3-pentafluoropropoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine is NNc1nc(OCC(F)(F)C(F)(F)F)cc(C(F)(F)F)n1.
What is the InChIKey of [4-(2,2,3,3,3-pentafluoropropoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine?
The InChIKey is NOAPXMNUNYDYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F8N4O/c9-6(10,8(14,15)16)2-21-4-1-3(7(11,12)13)18-5(19-4)20-17/h1H,2,17H2,(H,18,19,20).
What are the key properties of [4-(2,2,3,3,3-pentafluoropropoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine?
[4-(2,2,3,3,3-pentafluoropropoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine has a molecular weight of 326.15 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,2,3,3,3-pentafluoropropoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 114567815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).