[(3-chloro-4-fluorophenyl)-(2-methylthiophen-3-yl)methyl]hydrazine

C12H12ClFN2S — CID 102842754

IUPAC[(3-chloro-4-fluorophenyl)-(2-methylthiophen-3-yl)methyl]hydrazine
SMILESCc1sccc1C(NN)c1ccc(F)c(Cl)c1
InChIInChI=1S/C12H12ClFN2S/c1-7-9(4-5-17-7)12(16-15)8-2-3-11(14)10(13)6-8/h2-6,12,16H,15H2,1H3
InChIKeyBDGXVGBDNVJMCL-UHFFFAOYSA-N
MW270.76 g/mol
LogP3.40
Rot. Bonds3

About [(3-chloro-4-fluorophenyl)-(2-methylthiophen-3-yl)methyl]hydrazine

[(3-chloro-4-fluorophenyl)-(2-methylthiophen-3-yl)methyl]hydrazine (PubChem CID 102842754) has the molecular formula C12H12ClFN2S and a molecular weight of 270.76 g/mol. Its IUPAC name is [(3-chloro-4-fluorophenyl)-(2-methylthiophen-3-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-chloro-4-fluorophenyl)-(2-methylthiophen-3-yl)methyl]hydrazine
PubChem CID102842754
Molecular FormulaC12H12ClFN2S
Molecular Weight270.76 g/mol
Exact Mass270.04
IUPAC Name[(3-chloro-4-fluorophenyl)-(2-methylthiophen-3-yl)methyl]hydrazine
SMILESCc1sccc1C(NN)c1ccc(F)c(Cl)c1
InChIInChI=1S/C12H12ClFN2S/c1-7-9(4-5-17-7)12(16-15)8-2-3-11(14)10(13)6-8/h2-6,12,16H,15H2,1H3
InChIKeyBDGXVGBDNVJMCL-UHFFFAOYSA-N
XLogP3.40
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 53.40
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

[(3-chloro-4-methylphenyl)-(2-methylthiophen-3-yl)methyl]hydrazine
CID 102843250
[(2-methylthiophen-3-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine
CID 102842698
[(3-fluorophenyl)-(2-methylthiophen-3-yl)methyl]hydrazine
CID 102842614
[(4-tert-butylphenyl)-(2-methylthiophen-3-yl)methyl]hydrazine
CID 102843361
[(3-chloro-4-fluorophenyl)-(2,4-difluorophenyl)methyl]hydrazine
CID 105218162
[(3-chloro-4-fluorophenyl)-(2,6-difluoro-3-methylphenyl)methyl]hydrazine
CID 105218082
[(3-chloro-4-fluorophenyl)-phenylmethyl]hydrazine
CID 105218019
[(4-bromo-2,6-difluorophenyl)-(2-methylthiophen-3-yl)methyl]hydrazine
CID 102843340
1-(4-chloro-2,5-difluorophenyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine
CID 102841710
[[2-fluoro-5-(trifluoromethyl)phenyl]-(2-methylthiophen-3-yl)methyl]hydrazine
CID 102842935
1-(3-chloro-4-iodophenyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine
CID 103216562
1-(3-fluoro-4-methylphenyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine
CID 102831967

Frequently Asked Questions

What is the IUPAC name of [(3-chloro-4-fluorophenyl)-(2-methylthiophen-3-yl)methyl]hydrazine?
The IUPAC name of [(3-chloro-4-fluorophenyl)-(2-methylthiophen-3-yl)methyl]hydrazine (CID 102842754) is [(3-chloro-4-fluorophenyl)-(2-methylthiophen-3-yl)methyl]hydrazine.
What is the SMILES notation for [(3-chloro-4-fluorophenyl)-(2-methylthiophen-3-yl)methyl]hydrazine?
The canonical SMILES for [(3-chloro-4-fluorophenyl)-(2-methylthiophen-3-yl)methyl]hydrazine is Cc1sccc1C(NN)c1ccc(F)c(Cl)c1.
What is the InChIKey of [(3-chloro-4-fluorophenyl)-(2-methylthiophen-3-yl)methyl]hydrazine?
The InChIKey is BDGXVGBDNVJMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN2S/c1-7-9(4-5-17-7)12(16-15)8-2-3-11(14)10(13)6-8/h2-6,12,16H,15H2,1H3.
What are the key properties of [(3-chloro-4-fluorophenyl)-(2-methylthiophen-3-yl)methyl]hydrazine?
[(3-chloro-4-fluorophenyl)-(2-methylthiophen-3-yl)methyl]hydrazine has a molecular weight of 270.76 g/mol, XLogP of 3.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-chloro-4-fluorophenyl)-(2-methylthiophen-3-yl)methyl]hydrazine is sourced from PubChem (CID 102842754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).