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

C13H12F4N2S — CID 107292364

IUPAC[[4-fluoro-3-(trifluoromethyl)phenyl]-(4-methylthiophen-3-yl)methyl]hydrazine
SMILESCc1cscc1C(NN)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C13H12F4N2S/c1-7-5-20-6-9(7)12(19-18)8-2-3-11(14)10(4-8)13(15,16)17/h2-6,12,19H,18H2,1H3
InChIKeyRJWVOMOWBVZNIT-UHFFFAOYSA-N
MW304.31 g/mol
LogP3.77
Rot. Bonds3

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

[[4-fluoro-3-(trifluoromethyl)phenyl]-(4-methylthiophen-3-yl)methyl]hydrazine (PubChem CID 107292364) has the molecular formula C13H12F4N2S and a molecular weight of 304.31 g/mol. Its IUPAC name is [[4-fluoro-3-(trifluoromethyl)phenyl]-(4-methylthiophen-3-yl)methyl]hydrazine.

Molecular Properties

Compound Name[[4-fluoro-3-(trifluoromethyl)phenyl]-(4-methylthiophen-3-yl)methyl]hydrazine
PubChem CID107292364
Molecular FormulaC13H12F4N2S
Molecular Weight304.31 g/mol
Exact Mass304.07
IUPAC Name[[4-fluoro-3-(trifluoromethyl)phenyl]-(4-methylthiophen-3-yl)methyl]hydrazine
SMILESCc1cscc1C(NN)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C13H12F4N2S/c1-7-5-20-6-9(7)12(19-18)8-2-3-11(14)10(4-8)13(15,16)17/h2-6,12,19H,18H2,1H3
InChIKeyRJWVOMOWBVZNIT-UHFFFAOYSA-N
XLogP3.77
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-[[4-fluoro-3-(trifluoromethyl)phenyl]-hydrazinylmethyl]aniline
CID 107292299
[(3-chloro-4-methylphenyl)-(4-methylthiophen-3-yl)methyl]hydrazine
CID 107562423
[[4-fluoro-3-(trifluoromethyl)phenyl]-(2-iodophenyl)methyl]hydrazine
CID 107292549
[(3-fluoro-4-pyridinyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105335389
[[4-fluoro-3-(trifluoromethyl)phenyl]-(2-methylpyrimidin-4-yl)methyl]hydrazine
CID 107292392
[(3-chlorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105289210
1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-1-thiophen-3-ylmethanamine
CID 104988381
1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-1-(2-methylphenyl)methanamine
CID 115794840
[(3-bromophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 107292244
1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-1-(5-methylthiophen-3-yl)methanamine
CID 104991349
1-(3,5-dimethylthiophen-2-yl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 81163519
1-(5-chloro-4-methylthiophen-2-yl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 102763778

Frequently Asked Questions

What is the IUPAC name of [[4-fluoro-3-(trifluoromethyl)phenyl]-(4-methylthiophen-3-yl)methyl]hydrazine?
The IUPAC name of [[4-fluoro-3-(trifluoromethyl)phenyl]-(4-methylthiophen-3-yl)methyl]hydrazine (CID 107292364) is [[4-fluoro-3-(trifluoromethyl)phenyl]-(4-methylthiophen-3-yl)methyl]hydrazine.
What is the SMILES notation for [[4-fluoro-3-(trifluoromethyl)phenyl]-(4-methylthiophen-3-yl)methyl]hydrazine?
The canonical SMILES for [[4-fluoro-3-(trifluoromethyl)phenyl]-(4-methylthiophen-3-yl)methyl]hydrazine is Cc1cscc1C(NN)c1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of [[4-fluoro-3-(trifluoromethyl)phenyl]-(4-methylthiophen-3-yl)methyl]hydrazine?
The InChIKey is RJWVOMOWBVZNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F4N2S/c1-7-5-20-6-9(7)12(19-18)8-2-3-11(14)10(4-8)13(15,16)17/h2-6,12,19H,18H2,1H3.
What are the key properties of [[4-fluoro-3-(trifluoromethyl)phenyl]-(4-methylthiophen-3-yl)methyl]hydrazine?
[[4-fluoro-3-(trifluoromethyl)phenyl]-(4-methylthiophen-3-yl)methyl]hydrazine has a molecular weight of 304.31 g/mol, XLogP of 3.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[4-fluoro-3-(trifluoromethyl)phenyl]-(4-methylthiophen-3-yl)methyl]hydrazine is sourced from PubChem (CID 107292364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).