[(2-methylthiophen-3-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine

C12H11F3N2S — CID 102842698

IUPAC[(2-methylthiophen-3-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine
SMILESCc1sccc1C(NN)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C12H11F3N2S/c1-6-8(2-3-18-6)12(17-16)7-4-9(13)11(15)10(14)5-7/h2-5,12,17H,16H2,1H3
InChIKeySRSNIPAFGGUGBX-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.03
Rot. Bonds3

About [(2-methylthiophen-3-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine

[(2-methylthiophen-3-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine (PubChem CID 102842698) has the molecular formula C12H11F3N2S and a molecular weight of 272.30 g/mol. Its IUPAC name is [(2-methylthiophen-3-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine.

Molecular Properties

Compound Name[(2-methylthiophen-3-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine
PubChem CID102842698
Molecular FormulaC12H11F3N2S
Molecular Weight272.30 g/mol
Exact Mass272.06
IUPAC Name[(2-methylthiophen-3-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine
SMILESCc1sccc1C(NN)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C12H11F3N2S/c1-6-8(2-3-18-6)12(17-16)7-4-9(13)11(15)10(14)5-7/h2-5,12,17H,16H2,1H3
InChIKeySRSNIPAFGGUGBX-UHFFFAOYSA-N
XLogP3.03
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(3-chloro-4-fluorophenyl)-(2-methylthiophen-3-yl)methyl]hydrazine
CID 102842754
[(3-fluorophenyl)-(2-methylthiophen-3-yl)methyl]hydrazine
CID 102842614
[(3-methylthiophen-2-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine
CID 105208141
[(4-bromo-2,6-difluorophenyl)-(2-methylthiophen-3-yl)methyl]hydrazine
CID 102843340
1-(3-fluoro-4-methylphenyl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine
CID 102831967
[(4-tert-butylphenyl)-(2-methylthiophen-3-yl)methyl]hydrazine
CID 102843361
[(3-chloro-4-methylphenyl)-(2-methylthiophen-3-yl)methyl]hydrazine
CID 102843250
[[2-fluoro-5-(trifluoromethyl)phenyl]-(2-methylthiophen-3-yl)methyl]hydrazine
CID 102842935
[(3-bromothiophen-2-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine
CID 105208216
[(3-fluoro-2-pyridinyl)-(2-methylthiophen-3-yl)methyl]hydrazine
CID 102842986
[(3-methoxyphenyl)-(2-methylthiophen-3-yl)methyl]hydrazine
CID 102842607
[(4-bromothiophen-2-yl)-(2-methylthiophen-3-yl)methyl]hydrazine
CID 102842782

Frequently Asked Questions

What is the IUPAC name of [(2-methylthiophen-3-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine?
The IUPAC name of [(2-methylthiophen-3-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine (CID 102842698) is [(2-methylthiophen-3-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine.
What is the SMILES notation for [(2-methylthiophen-3-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine?
The canonical SMILES for [(2-methylthiophen-3-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine is Cc1sccc1C(NN)c1cc(F)c(F)c(F)c1.
What is the InChIKey of [(2-methylthiophen-3-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine?
The InChIKey is SRSNIPAFGGUGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2S/c1-6-8(2-3-18-6)12(17-16)7-4-9(13)11(15)10(14)5-7/h2-5,12,17H,16H2,1H3.
What are the key properties of [(2-methylthiophen-3-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine?
[(2-methylthiophen-3-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine has a molecular weight of 272.30 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-methylthiophen-3-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine is sourced from PubChem (CID 102842698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).