[[2-fluoro-3-(trifluoromethyl)phenyl]-pyrazin-2-ylmethyl]hydrazine

C12H10F4N4 — CID 105250401

IUPAC[[2-fluoro-3-(trifluoromethyl)phenyl]-pyrazin-2-ylmethyl]hydrazine
SMILESNNC(c1cnccn1)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C12H10F4N4/c13-10-7(2-1-3-8(10)12(14,15)16)11(20-17)9-6-18-4-5-19-9/h1-6,11,20H,17H2
InChIKeyQXRYFIUKKGBTAF-UHFFFAOYSA-N
MW286.23 g/mol
LogP2.19
Rot. Bonds3

About [[2-fluoro-3-(trifluoromethyl)phenyl]-pyrazin-2-ylmethyl]hydrazine

[[2-fluoro-3-(trifluoromethyl)phenyl]-pyrazin-2-ylmethyl]hydrazine (PubChem CID 105250401) has the molecular formula C12H10F4N4 and a molecular weight of 286.23 g/mol. Its IUPAC name is [[2-fluoro-3-(trifluoromethyl)phenyl]-pyrazin-2-ylmethyl]hydrazine.

Molecular Properties

Compound Name[[2-fluoro-3-(trifluoromethyl)phenyl]-pyrazin-2-ylmethyl]hydrazine
PubChem CID105250401
Molecular FormulaC12H10F4N4
Molecular Weight286.23 g/mol
Exact Mass286.08
IUPAC Name[[2-fluoro-3-(trifluoromethyl)phenyl]-pyrazin-2-ylmethyl]hydrazine
SMILESNNC(c1cnccn1)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C12H10F4N4/c13-10-7(2-1-3-8(10)12(14,15)16)11(20-17)9-6-18-4-5-19-9/h1-6,11,20H,17H2
InChIKeyQXRYFIUKKGBTAF-UHFFFAOYSA-N
XLogP2.19
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.23
LogP ≤ 52.19
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'}

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Related Compounds

[[3-fluoro-4-(trifluoromethyl)phenyl]-pyrazin-2-ylmethyl]hydrazine
CID 107292256
[(2,3,4,5,6-pentafluorophenyl)-pyrazin-2-ylmethyl]hydrazine
CID 105308675
[(2-chloro-3-methylphenyl)-pyrazin-2-ylmethyl]hydrazine
CID 105308730
[(3-bromo-2-chlorophenyl)-pyrazin-2-ylmethyl]hydrazine
CID 105308722
[(3-fluorophenyl)-[2-fluoro-3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105250363
[[2-fluoro-3-(trifluoromethyl)phenyl]-(4-methylphenyl)methyl]hydrazine
CID 105250323
1-(3-chloro-2-fluorophenyl)-N-methyl-1-pyrazin-2-ylmethanamine
CID 64714340
N-[(3-bromo-2-fluorophenyl)-pyrazin-2-ylmethyl]ethanamine
CID 106645388
N-[(3-chloro-2-fluorophenyl)-pyrazin-2-ylmethyl]ethanamine
CID 64713471
N-[(2,3-difluorophenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 63990262
[(3-chloro-4-pyridinyl)-[2-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105304839
[(3-iodophenyl)-pyrazin-2-ylmethyl]hydrazine
CID 105308608

Frequently Asked Questions

What is the IUPAC name of [[2-fluoro-3-(trifluoromethyl)phenyl]-pyrazin-2-ylmethyl]hydrazine?
The IUPAC name of [[2-fluoro-3-(trifluoromethyl)phenyl]-pyrazin-2-ylmethyl]hydrazine (CID 105250401) is [[2-fluoro-3-(trifluoromethyl)phenyl]-pyrazin-2-ylmethyl]hydrazine.
What is the SMILES notation for [[2-fluoro-3-(trifluoromethyl)phenyl]-pyrazin-2-ylmethyl]hydrazine?
The canonical SMILES for [[2-fluoro-3-(trifluoromethyl)phenyl]-pyrazin-2-ylmethyl]hydrazine is NNC(c1cnccn1)c1cccc(C(F)(F)F)c1F.
What is the InChIKey of [[2-fluoro-3-(trifluoromethyl)phenyl]-pyrazin-2-ylmethyl]hydrazine?
The InChIKey is QXRYFIUKKGBTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F4N4/c13-10-7(2-1-3-8(10)12(14,15)16)11(20-17)9-6-18-4-5-19-9/h1-6,11,20H,17H2.
What are the key properties of [[2-fluoro-3-(trifluoromethyl)phenyl]-pyrazin-2-ylmethyl]hydrazine?
[[2-fluoro-3-(trifluoromethyl)phenyl]-pyrazin-2-ylmethyl]hydrazine has a molecular weight of 286.23 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[2-fluoro-3-(trifluoromethyl)phenyl]-pyrazin-2-ylmethyl]hydrazine is sourced from PubChem (CID 105250401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).