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

C12H11F3N2S — CID 105208141

IUPAC[(3-methylthiophen-2-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine
SMILESCc1ccsc1C(NN)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C12H11F3N2S/c1-6-2-3-18-12(6)11(17-16)7-4-8(13)10(15)9(14)5-7/h2-5,11,17H,16H2,1H3
InChIKeyIZDZOEHTSFSITA-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.03
Rot. Bonds3

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

[(3-methylthiophen-2-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine (PubChem CID 105208141) has the molecular formula C12H11F3N2S and a molecular weight of 272.30 g/mol. Its IUPAC name is [(3-methylthiophen-2-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-methylthiophen-2-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine
PubChem CID105208141
Molecular FormulaC12H11F3N2S
Molecular Weight272.30 g/mol
Exact Mass272.06
IUPAC Name[(3-methylthiophen-2-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine
SMILESCc1ccsc1C(NN)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C12H11F3N2S/c1-6-2-3-18-12(6)11(17-16)7-4-8(13)10(15)9(14)5-7/h2-5,11,17H,16H2,1H3
InChIKeyIZDZOEHTSFSITA-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-bromothiophen-2-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine
CID 105208216
[(2-methylthiophen-3-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine
CID 102842698
[(2-fluoro-4,6-dimethylphenyl)-(3-methylthiophen-2-yl)methyl]hydrazine
CID 106884497
[(2-bromo-3,4-difluorophenyl)-(3-methylthiophen-2-yl)methyl]hydrazine
CID 107541161
[(4-tert-butylphenyl)-(3-methylthiophen-2-yl)methyl]hydrazine
CID 105300421
[(3-fluoro-4-pyridinyl)-(3-methylthiophen-2-yl)methyl]hydrazine
CID 105258625
[(6-bromonaphthalen-2-yl)-(3-methylthiophen-2-yl)methyl]hydrazine
CID 105322461
[(2,4-dichlorophenyl)-(3-methylthiophen-2-yl)methyl]hydrazine
CID 105322333
[(4-bromothiophen-2-yl)-(3-methylthiophen-2-yl)methyl]hydrazine
CID 105222526
[(4-fluoro-3-methylphenyl)-(3-methoxythiophen-2-yl)methyl]hydrazine
CID 105302690
[(3-fluoro-4-methoxyphenyl)-(3-methoxythiophen-2-yl)methyl]hydrazine
CID 105304059
[(2-methylsulfanylphenyl)-(3-methylthiophen-2-yl)methyl]hydrazine
CID 105322402

Frequently Asked Questions

What is the IUPAC name of [(3-methylthiophen-2-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine?
The IUPAC name of [(3-methylthiophen-2-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine (CID 105208141) is [(3-methylthiophen-2-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine.
What is the SMILES notation for [(3-methylthiophen-2-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine?
The canonical SMILES for [(3-methylthiophen-2-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine is Cc1ccsc1C(NN)c1cc(F)c(F)c(F)c1.
What is the InChIKey of [(3-methylthiophen-2-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine?
The InChIKey is IZDZOEHTSFSITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2S/c1-6-2-3-18-12(6)11(17-16)7-4-8(13)10(15)9(14)5-7/h2-5,11,17H,16H2,1H3.
What are the key properties of [(3-methylthiophen-2-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine?
[(3-methylthiophen-2-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 [(3-methylthiophen-2-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine is sourced from PubChem (CID 105208141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).