[[2-fluoro-5-(trifluoromethyl)phenyl]-(2-methylthiophen-3-yl)methyl]hydrazine

C13H12F4N2S — CID 102842935

IUPAC[[2-fluoro-5-(trifluoromethyl)phenyl]-(2-methylthiophen-3-yl)methyl]hydrazine
SMILESCc1sccc1C(NN)c1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C13H12F4N2S/c1-7-9(4-5-20-7)12(19-18)10-6-8(13(15,16)17)2-3-11(10)14/h2-6,12,19H,18H2,1H3
InChIKeyIDLHVMQSGFQCTH-UHFFFAOYSA-N
MW304.31 g/mol
LogP3.77
Rot. Bonds3

About [[2-fluoro-5-(trifluoromethyl)phenyl]-(2-methylthiophen-3-yl)methyl]hydrazine

[[2-fluoro-5-(trifluoromethyl)phenyl]-(2-methylthiophen-3-yl)methyl]hydrazine (PubChem CID 102842935) has the molecular formula C13H12F4N2S and a molecular weight of 304.31 g/mol. Its IUPAC name is [[2-fluoro-5-(trifluoromethyl)phenyl]-(2-methylthiophen-3-yl)methyl]hydrazine.

Molecular Properties

Compound Name[[2-fluoro-5-(trifluoromethyl)phenyl]-(2-methylthiophen-3-yl)methyl]hydrazine
PubChem CID102842935
Molecular FormulaC13H12F4N2S
Molecular Weight304.31 g/mol
Exact Mass304.07
IUPAC Name[[2-fluoro-5-(trifluoromethyl)phenyl]-(2-methylthiophen-3-yl)methyl]hydrazine
SMILESCc1sccc1C(NN)c1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C13H12F4N2S/c1-7-9(4-5-20-7)12(19-18)10-6-8(13(15,16)17)2-3-11(10)14/h2-6,12,19H,18H2,1H3
InChIKeyIDLHVMQSGFQCTH-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'}

Analyze [[2-fluoro-5-(trifluoromethyl)phenyl]-(2-methylthiophen-3-yl)methyl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(4-fluorophenyl)-[2-fluoro-5-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105250257
[(2-methylthiophen-3-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine
CID 102842698
[(3-chloro-4-fluorophenyl)-(2-methylthiophen-3-yl)methyl]hydrazine
CID 102842754
[[2-fluoro-5-(trifluoromethyl)phenyl]-(5-methyl-3-pyridinyl)methyl]hydrazine
CID 105250235
[(4-tert-butylphenyl)-(2-methylthiophen-3-yl)methyl]hydrazine
CID 102843361
[(4-bromo-2,6-difluorophenyl)-(2-methylthiophen-3-yl)methyl]hydrazine
CID 102843340
[[2-fluoro-5-(trifluoromethyl)phenyl]-(furan-3-yl)methyl]hydrazine
CID 105250289
[(3-fluorophenyl)-(2-methylthiophen-3-yl)methyl]hydrazine
CID 102842614
[cyclopropyl-[2-fluoro-5-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105250205
N-[(2-methylthiophen-3-yl)-[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 102840771
[(4-chloro-1-methylpyrazol-5-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105250271
[(2-ethylpyrazol-3-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105250266

Frequently Asked Questions

What is the IUPAC name of [[2-fluoro-5-(trifluoromethyl)phenyl]-(2-methylthiophen-3-yl)methyl]hydrazine?
The IUPAC name of [[2-fluoro-5-(trifluoromethyl)phenyl]-(2-methylthiophen-3-yl)methyl]hydrazine (CID 102842935) is [[2-fluoro-5-(trifluoromethyl)phenyl]-(2-methylthiophen-3-yl)methyl]hydrazine.
What is the SMILES notation for [[2-fluoro-5-(trifluoromethyl)phenyl]-(2-methylthiophen-3-yl)methyl]hydrazine?
The canonical SMILES for [[2-fluoro-5-(trifluoromethyl)phenyl]-(2-methylthiophen-3-yl)methyl]hydrazine is Cc1sccc1C(NN)c1cc(C(F)(F)F)ccc1F.
What is the InChIKey of [[2-fluoro-5-(trifluoromethyl)phenyl]-(2-methylthiophen-3-yl)methyl]hydrazine?
The InChIKey is IDLHVMQSGFQCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F4N2S/c1-7-9(4-5-20-7)12(19-18)10-6-8(13(15,16)17)2-3-11(10)14/h2-6,12,19H,18H2,1H3.
What are the key properties of [[2-fluoro-5-(trifluoromethyl)phenyl]-(2-methylthiophen-3-yl)methyl]hydrazine?
[[2-fluoro-5-(trifluoromethyl)phenyl]-(2-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 [[2-fluoro-5-(trifluoromethyl)phenyl]-(2-methylthiophen-3-yl)methyl]hydrazine is sourced from PubChem (CID 102842935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).