[5-ethyl-4-(1,1,2,2,2-pentafluoroethyl)pyrimidin-2-yl]hydrazine

C8H9F5N4 — CID 57192105

IUPAC[5-ethyl-4-(1,1,2,2,2-pentafluoroethyl)pyrimidin-2-yl]hydrazine
SMILESCCc1cnc(NN)nc1C(F)(F)C(F)(F)F
InChIInChI=1S/C8H9F5N4/c1-2-4-3-15-6(17-14)16-5(4)7(9,10)8(11,12)13/h3H,2,14H2,1H3,(H,15,16,17)
InChIKeyAMAUDXWHDYTTAD-UHFFFAOYSA-N
MW256.18 g/mol
LogP1.98
Rot. Bonds3

About [5-ethyl-4-(1,1,2,2,2-pentafluoroethyl)pyrimidin-2-yl]hydrazine

[5-ethyl-4-(1,1,2,2,2-pentafluoroethyl)pyrimidin-2-yl]hydrazine (PubChem CID 57192105) has the molecular formula C8H9F5N4 and a molecular weight of 256.18 g/mol. Its IUPAC name is [5-ethyl-4-(1,1,2,2,2-pentafluoroethyl)pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[5-ethyl-4-(1,1,2,2,2-pentafluoroethyl)pyrimidin-2-yl]hydrazine
PubChem CID57192105
Molecular FormulaC8H9F5N4
Molecular Weight256.18 g/mol
Exact Mass256.07
IUPAC Name[5-ethyl-4-(1,1,2,2,2-pentafluoroethyl)pyrimidin-2-yl]hydrazine
SMILESCCc1cnc(NN)nc1C(F)(F)C(F)(F)F
InChIInChI=1S/C8H9F5N4/c1-2-4-3-15-6(17-14)16-5(4)7(9,10)8(11,12)13/h3H,2,14H2,1H3,(H,15,16,17)
InChIKeyAMAUDXWHDYTTAD-UHFFFAOYSA-N
XLogP1.98
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.18
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of [5-ethyl-4-(1,1,2,2,2-pentafluoroethyl)pyrimidin-2-yl]hydrazine?
The IUPAC name of [5-ethyl-4-(1,1,2,2,2-pentafluoroethyl)pyrimidin-2-yl]hydrazine (CID 57192105) is [5-ethyl-4-(1,1,2,2,2-pentafluoroethyl)pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [5-ethyl-4-(1,1,2,2,2-pentafluoroethyl)pyrimidin-2-yl]hydrazine?
The canonical SMILES for [5-ethyl-4-(1,1,2,2,2-pentafluoroethyl)pyrimidin-2-yl]hydrazine is CCc1cnc(NN)nc1C(F)(F)C(F)(F)F.
What is the InChIKey of [5-ethyl-4-(1,1,2,2,2-pentafluoroethyl)pyrimidin-2-yl]hydrazine?
The InChIKey is AMAUDXWHDYTTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F5N4/c1-2-4-3-15-6(17-14)16-5(4)7(9,10)8(11,12)13/h3H,2,14H2,1H3,(H,15,16,17).
What are the key properties of [5-ethyl-4-(1,1,2,2,2-pentafluoroethyl)pyrimidin-2-yl]hydrazine?
[5-ethyl-4-(1,1,2,2,2-pentafluoroethyl)pyrimidin-2-yl]hydrazine has a molecular weight of 256.18 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-ethyl-4-(1,1,2,2,2-pentafluoroethyl)pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 57192105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).