[[4-fluoro-3-(trifluoromethyl)phenyl]-(2-methylpyrimidin-4-yl)methyl]hydrazine

C13H12F4N4 — CID 107292392

IUPAC[[4-fluoro-3-(trifluoromethyl)phenyl]-(2-methylpyrimidin-4-yl)methyl]hydrazine
SMILESCc1nccc(C(NN)c2ccc(F)c(C(F)(F)F)c2)n1
InChIInChI=1S/C13H12F4N4/c1-7-19-5-4-11(20-7)12(21-18)8-2-3-10(14)9(6-8)13(15,16)17/h2-6,12,21H,18H2,1H3
InChIKeyVLJNUKWANQQIJM-UHFFFAOYSA-N
MW300.26 g/mol
LogP2.50
Rot. Bonds3

About [[4-fluoro-3-(trifluoromethyl)phenyl]-(2-methylpyrimidin-4-yl)methyl]hydrazine

[[4-fluoro-3-(trifluoromethyl)phenyl]-(2-methylpyrimidin-4-yl)methyl]hydrazine (PubChem CID 107292392) has the molecular formula C13H12F4N4 and a molecular weight of 300.26 g/mol. Its IUPAC name is [[4-fluoro-3-(trifluoromethyl)phenyl]-(2-methylpyrimidin-4-yl)methyl]hydrazine.

Molecular Properties

Compound Name[[4-fluoro-3-(trifluoromethyl)phenyl]-(2-methylpyrimidin-4-yl)methyl]hydrazine
PubChem CID107292392
Molecular FormulaC13H12F4N4
Molecular Weight300.26 g/mol
Exact Mass300.10
IUPAC Name[[4-fluoro-3-(trifluoromethyl)phenyl]-(2-methylpyrimidin-4-yl)methyl]hydrazine
SMILESCc1nccc(C(NN)c2ccc(F)c(C(F)(F)F)c2)n1
InChIInChI=1S/C13H12F4N4/c1-7-19-5-4-11(20-7)12(21-18)8-2-3-10(14)9(6-8)13(15,16)17/h2-6,12,21H,18H2,1H3
InChIKeyVLJNUKWANQQIJM-UHFFFAOYSA-N
XLogP2.50
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.26
LogP ≤ 52.50
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

[(3,4-dichlorophenyl)-(2-methylpyrimidin-4-yl)methyl]hydrazine
CID 105260527
[(5-bromo-2-fluorophenyl)-(2-methylpyrimidin-4-yl)methyl]hydrazine
CID 105260559
[(3-fluoro-4-pyridinyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105335389
[[4-fluoro-3-(trifluoromethyl)phenyl]-(4-methylthiophen-3-yl)methyl]hydrazine
CID 107292364
[(5-methyl-3-pyridinyl)-(2-methylpyrimidin-4-yl)methyl]hydrazine
CID 105260453
[(3-chlorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105289210
2-[[4-fluoro-3-(trifluoromethyl)phenyl]-hydrazinylmethyl]aniline
CID 107292299
[(3-bromophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 107292244
[[4-fluoro-3-(trifluoromethyl)phenyl]-(2-iodophenyl)methyl]hydrazine
CID 107292549
[(4-bromo-1-methylpyrazol-5-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105342188
[(4-fluoro-3-methylphenyl)-(6-methyl-2-pyridinyl)methyl]hydrazine
CID 105219002
[(2-methyl-4-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]hydrazine
CID 106756526

Frequently Asked Questions

What is the IUPAC name of [[4-fluoro-3-(trifluoromethyl)phenyl]-(2-methylpyrimidin-4-yl)methyl]hydrazine?
The IUPAC name of [[4-fluoro-3-(trifluoromethyl)phenyl]-(2-methylpyrimidin-4-yl)methyl]hydrazine (CID 107292392) is [[4-fluoro-3-(trifluoromethyl)phenyl]-(2-methylpyrimidin-4-yl)methyl]hydrazine.
What is the SMILES notation for [[4-fluoro-3-(trifluoromethyl)phenyl]-(2-methylpyrimidin-4-yl)methyl]hydrazine?
The canonical SMILES for [[4-fluoro-3-(trifluoromethyl)phenyl]-(2-methylpyrimidin-4-yl)methyl]hydrazine is Cc1nccc(C(NN)c2ccc(F)c(C(F)(F)F)c2)n1.
What is the InChIKey of [[4-fluoro-3-(trifluoromethyl)phenyl]-(2-methylpyrimidin-4-yl)methyl]hydrazine?
The InChIKey is VLJNUKWANQQIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F4N4/c1-7-19-5-4-11(20-7)12(21-18)8-2-3-10(14)9(6-8)13(15,16)17/h2-6,12,21H,18H2,1H3.
What are the key properties of [[4-fluoro-3-(trifluoromethyl)phenyl]-(2-methylpyrimidin-4-yl)methyl]hydrazine?
[[4-fluoro-3-(trifluoromethyl)phenyl]-(2-methylpyrimidin-4-yl)methyl]hydrazine has a molecular weight of 300.26 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[4-fluoro-3-(trifluoromethyl)phenyl]-(2-methylpyrimidin-4-yl)methyl]hydrazine is sourced from PubChem (CID 107292392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).