[(2-methylsulfanylphenyl)-(2,3,4-trifluorophenyl)methyl]hydrazine

C14H13F3N2S — CID 105305698

IUPAC[(2-methylsulfanylphenyl)-(2,3,4-trifluorophenyl)methyl]hydrazine
SMILESCSc1ccccc1C(NN)c1ccc(F)c(F)c1F
InChIInChI=1S/C14H13F3N2S/c1-20-11-5-3-2-4-8(11)14(19-18)9-6-7-10(15)13(17)12(9)16/h2-7,14,19H,18H2,1H3
InChIKeyBYIIKBQPJNXWIF-UHFFFAOYSA-N
MW298.33 g/mol
LogP3.38
Rot. Bonds4

About [(2-methylsulfanylphenyl)-(2,3,4-trifluorophenyl)methyl]hydrazine

[(2-methylsulfanylphenyl)-(2,3,4-trifluorophenyl)methyl]hydrazine (PubChem CID 105305698) has the molecular formula C14H13F3N2S and a molecular weight of 298.33 g/mol. Its IUPAC name is [(2-methylsulfanylphenyl)-(2,3,4-trifluorophenyl)methyl]hydrazine.

Molecular Properties

Compound Name[(2-methylsulfanylphenyl)-(2,3,4-trifluorophenyl)methyl]hydrazine
PubChem CID105305698
Molecular FormulaC14H13F3N2S
Molecular Weight298.33 g/mol
Exact Mass298.08
IUPAC Name[(2-methylsulfanylphenyl)-(2,3,4-trifluorophenyl)methyl]hydrazine
SMILESCSc1ccccc1C(NN)c1ccc(F)c(F)c1F
InChIInChI=1S/C14H13F3N2S/c1-20-11-5-3-2-4-8(11)14(19-18)9-6-7-10(15)13(17)12(9)16/h2-7,14,19H,18H2,1H3
InChIKeyBYIIKBQPJNXWIF-UHFFFAOYSA-N
XLogP3.38
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 53.38
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

(2-methylsulfanylphenyl)-(2,3,4-trifluorophenyl)methanamine
CID 115855341
[(2-fluoro-3-methoxyphenyl)-(2,3,4-trifluorophenyl)methyl]hydrazine
CID 105329259
[(4-fluoro-3-methylphenyl)-(2-methylsulfanylphenyl)methyl]hydrazine
CID 105302612
[(2,4-difluorophenyl)-(2,3,4-trifluorophenyl)methyl]hydrazine
CID 105216507
[(4-bromo-2-fluorophenyl)-(2,3,4-trifluorophenyl)methyl]hydrazine
CID 105280809
[1-benzothiophen-7-yl-(2,3,4-trifluorophenyl)methyl]hydrazine
CID 105327623
[2-methylsulfanyl-1-(2,3,4-trifluorophenyl)ethyl]hydrazine
CID 105213752
[(2,3,4-trifluorophenyl)-(2,4,6-trifluorophenyl)methyl]hydrazine
CID 105305720
[(2,4-dibromophenyl)-(2,3,4-trifluorophenyl)methyl]hydrazine
CID 107948222
[(4-tert-butylphenyl)-(2-methylsulfanylphenyl)methyl]hydrazine
CID 105300389
[1-benzofuran-2-yl-(2,3,4-trifluorophenyl)methyl]hydrazine
CID 105218310
[(5-fluoro-3-pyridinyl)-(2-methylsulfanylphenyl)methyl]hydrazine
CID 105288108

Frequently Asked Questions

What is the IUPAC name of [(2-methylsulfanylphenyl)-(2,3,4-trifluorophenyl)methyl]hydrazine?
The IUPAC name of [(2-methylsulfanylphenyl)-(2,3,4-trifluorophenyl)methyl]hydrazine (CID 105305698) is [(2-methylsulfanylphenyl)-(2,3,4-trifluorophenyl)methyl]hydrazine.
What is the SMILES notation for [(2-methylsulfanylphenyl)-(2,3,4-trifluorophenyl)methyl]hydrazine?
The canonical SMILES for [(2-methylsulfanylphenyl)-(2,3,4-trifluorophenyl)methyl]hydrazine is CSc1ccccc1C(NN)c1ccc(F)c(F)c1F.
What is the InChIKey of [(2-methylsulfanylphenyl)-(2,3,4-trifluorophenyl)methyl]hydrazine?
The InChIKey is BYIIKBQPJNXWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2S/c1-20-11-5-3-2-4-8(11)14(19-18)9-6-7-10(15)13(17)12(9)16/h2-7,14,19H,18H2,1H3.
What are the key properties of [(2-methylsulfanylphenyl)-(2,3,4-trifluorophenyl)methyl]hydrazine?
[(2-methylsulfanylphenyl)-(2,3,4-trifluorophenyl)methyl]hydrazine has a molecular weight of 298.33 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-methylsulfanylphenyl)-(2,3,4-trifluorophenyl)methyl]hydrazine is sourced from PubChem (CID 105305698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).