[2-(2-fluorophenyl)sulfanyl-1-(2,3,4-trifluorophenyl)ethyl]hydrazine

C14H12F4N2S — CID 105236101

IUPAC[2-(2-fluorophenyl)sulfanyl-1-(2,3,4-trifluorophenyl)ethyl]hydrazine
SMILESNNC(CSc1ccccc1F)c1ccc(F)c(F)c1F
InChIInChI=1S/C14H12F4N2S/c15-9-3-1-2-4-12(9)21-7-11(20-19)8-5-6-10(16)14(18)13(8)17/h1-6,11,20H,7,19H2
InChIKeyUHMJDHCOECWWQY-UHFFFAOYSA-N
MW316.32 g/mol
LogP3.54
Rot. Bonds5

About [2-(2-fluorophenyl)sulfanyl-1-(2,3,4-trifluorophenyl)ethyl]hydrazine

[2-(2-fluorophenyl)sulfanyl-1-(2,3,4-trifluorophenyl)ethyl]hydrazine (PubChem CID 105236101) has the molecular formula C14H12F4N2S and a molecular weight of 316.32 g/mol. Its IUPAC name is [2-(2-fluorophenyl)sulfanyl-1-(2,3,4-trifluorophenyl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(2-fluorophenyl)sulfanyl-1-(2,3,4-trifluorophenyl)ethyl]hydrazine
PubChem CID105236101
Molecular FormulaC14H12F4N2S
Molecular Weight316.32 g/mol
Exact Mass316.07
IUPAC Name[2-(2-fluorophenyl)sulfanyl-1-(2,3,4-trifluorophenyl)ethyl]hydrazine
SMILESNNC(CSc1ccccc1F)c1ccc(F)c(F)c1F
InChIInChI=1S/C14H12F4N2S/c15-9-3-1-2-4-12(9)21-7-11(20-19)8-5-6-10(16)14(18)13(8)17/h1-6,11,20H,7,19H2
InChIKeyUHMJDHCOECWWQY-UHFFFAOYSA-N
XLogP3.54
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 53.54
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

[1-(3-bromo-2-fluorophenyl)-2-(2-fluorophenyl)sulfanylethyl]hydrazine
CID 106649115
[2-methylsulfanyl-1-(2,3,4-trifluorophenyl)ethyl]hydrazine
CID 105213752
[2-(2-bromophenyl)sulfanyl-1-(2,3-difluoro-4-methylphenyl)ethyl]hydrazine
CID 107516429
[1-(2,5-dimethylphenyl)-2-(2-fluorophenyl)sulfanylethyl]hydrazine
CID 105236186
2-(2-chlorophenyl)sulfanyl-N-methyl-1-(2,3,4-trifluorophenyl)ethanamine
CID 66140362
3-[2-(2-fluorophenyl)sulfanyl-1-hydrazinylethyl]-5-methylpyridin-2-amine
CID 105236310
[2-(2-fluorophenyl)sulfanyl-1-(6-methyl-3-pyridinyl)ethyl]hydrazine
CID 105236220
[3-ethyl-1-(2-fluorophenyl)sulfanylpentan-2-yl]hydrazine
CID 105236088
[1-(2,3-difluorophenyl)-2-(2-methylpropylsulfanyl)ethyl]hydrazine
CID 105226770
[3-pyridin-2-yl-1-(2,3,4-trifluorophenyl)propyl]hydrazine
CID 105305710
3-hydrazinyl-N,N-dimethyl-3-(2,3,4-trifluorophenyl)propan-1-amine
CID 105259088
[(2-methylsulfanylphenyl)-(2,3,4-trifluorophenyl)methyl]hydrazine
CID 105305698

Frequently Asked Questions

What is the IUPAC name of [2-(2-fluorophenyl)sulfanyl-1-(2,3,4-trifluorophenyl)ethyl]hydrazine?
The IUPAC name of [2-(2-fluorophenyl)sulfanyl-1-(2,3,4-trifluorophenyl)ethyl]hydrazine (CID 105236101) is [2-(2-fluorophenyl)sulfanyl-1-(2,3,4-trifluorophenyl)ethyl]hydrazine.
What is the SMILES notation for [2-(2-fluorophenyl)sulfanyl-1-(2,3,4-trifluorophenyl)ethyl]hydrazine?
The canonical SMILES for [2-(2-fluorophenyl)sulfanyl-1-(2,3,4-trifluorophenyl)ethyl]hydrazine is NNC(CSc1ccccc1F)c1ccc(F)c(F)c1F.
What is the InChIKey of [2-(2-fluorophenyl)sulfanyl-1-(2,3,4-trifluorophenyl)ethyl]hydrazine?
The InChIKey is UHMJDHCOECWWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F4N2S/c15-9-3-1-2-4-12(9)21-7-11(20-19)8-5-6-10(16)14(18)13(8)17/h1-6,11,20H,7,19H2.
What are the key properties of [2-(2-fluorophenyl)sulfanyl-1-(2,3,4-trifluorophenyl)ethyl]hydrazine?
[2-(2-fluorophenyl)sulfanyl-1-(2,3,4-trifluorophenyl)ethyl]hydrazine has a molecular weight of 316.32 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluorophenyl)sulfanyl-1-(2,3,4-trifluorophenyl)ethyl]hydrazine is sourced from PubChem (CID 105236101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).