[1-(3,4-difluorophenyl)-2-(4-fluorophenyl)sulfanylethyl]hydrazine

C14H13F3N2S — CID 105236679

IUPAC[1-(3,4-difluorophenyl)-2-(4-fluorophenyl)sulfanylethyl]hydrazine
SMILESNNC(CSc1ccc(F)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C14H13F3N2S/c15-10-2-4-11(5-3-10)20-8-14(19-18)9-1-6-12(16)13(17)7-9/h1-7,14,19H,8,18H2
InChIKeyKEMSWXRODCNNKU-UHFFFAOYSA-N
MW298.33 g/mol
LogP3.40
Rot. Bonds5

About [1-(3,4-difluorophenyl)-2-(4-fluorophenyl)sulfanylethyl]hydrazine

[1-(3,4-difluorophenyl)-2-(4-fluorophenyl)sulfanylethyl]hydrazine (PubChem CID 105236679) has the molecular formula C14H13F3N2S and a molecular weight of 298.33 g/mol. Its IUPAC name is [1-(3,4-difluorophenyl)-2-(4-fluorophenyl)sulfanylethyl]hydrazine.

Molecular Properties

Compound Name[1-(3,4-difluorophenyl)-2-(4-fluorophenyl)sulfanylethyl]hydrazine
PubChem CID105236679
Molecular FormulaC14H13F3N2S
Molecular Weight298.33 g/mol
Exact Mass298.08
IUPAC Name[1-(3,4-difluorophenyl)-2-(4-fluorophenyl)sulfanylethyl]hydrazine
SMILESNNC(CSc1ccc(F)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C14H13F3N2S/c15-10-2-4-11(5-3-10)20-8-14(19-18)9-1-6-12(16)13(17)7-9/h1-7,14,19H,8,18H2
InChIKeyKEMSWXRODCNNKU-UHFFFAOYSA-N
XLogP3.40
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
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

[1-(3-fluorophenyl)-2-(4-fluorophenyl)sulfanylethyl]hydrazine
CID 105236697
[2-(3-bromophenyl)sulfanyl-1-(3,4-difluorophenyl)ethyl]hydrazine
CID 105238376
[1-(3,4-difluorophenyl)-2-ethylsulfanylethyl]hydrazine
CID 105225349
[2-(4-fluorophenyl)sulfanyl-1-pyrimidin-5-ylethyl]hydrazine
CID 105236619
[2-(3-chlorophenyl)sulfanyl-1-(4-fluorophenyl)ethyl]hydrazine
CID 105237907
[2-(3,4-difluorophenyl)-1-(4-fluorophenyl)ethyl]hydrazine
CID 105192789
[1-(3,4-difluorophenyl)-4,4-dimethylpentyl]hydrazine
CID 105197132
[1-(2,4-difluorophenyl)-2-(4-methylphenyl)sulfanylethyl]hydrazine
CID 105236949
[1-(3,4-difluorophenyl)-2-methoxyethyl]hydrazine
CID 105197185
[1-(4-chlorophenyl)-2-phenylsulfanylethyl]hydrazine
CID 105228100
[2-(2-bromo-5-fluorophenyl)-1-(3,4-difluorophenyl)ethyl]hydrazine
CID 105197170
[2-cyclopropyl-1-(3,4-difluorophenyl)ethyl]hydrazine
CID 105196978

Frequently Asked Questions

What is the IUPAC name of [1-(3,4-difluorophenyl)-2-(4-fluorophenyl)sulfanylethyl]hydrazine?
The IUPAC name of [1-(3,4-difluorophenyl)-2-(4-fluorophenyl)sulfanylethyl]hydrazine (CID 105236679) is [1-(3,4-difluorophenyl)-2-(4-fluorophenyl)sulfanylethyl]hydrazine.
What is the SMILES notation for [1-(3,4-difluorophenyl)-2-(4-fluorophenyl)sulfanylethyl]hydrazine?
The canonical SMILES for [1-(3,4-difluorophenyl)-2-(4-fluorophenyl)sulfanylethyl]hydrazine is NNC(CSc1ccc(F)cc1)c1ccc(F)c(F)c1.
What is the InChIKey of [1-(3,4-difluorophenyl)-2-(4-fluorophenyl)sulfanylethyl]hydrazine?
The InChIKey is KEMSWXRODCNNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2S/c15-10-2-4-11(5-3-10)20-8-14(19-18)9-1-6-12(16)13(17)7-9/h1-7,14,19H,8,18H2.
What are the key properties of [1-(3,4-difluorophenyl)-2-(4-fluorophenyl)sulfanylethyl]hydrazine?
[1-(3,4-difluorophenyl)-2-(4-fluorophenyl)sulfanylethyl]hydrazine has a molecular weight of 298.33 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-difluorophenyl)-2-(4-fluorophenyl)sulfanylethyl]hydrazine is sourced from PubChem (CID 105236679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).