[2-[(2,5-difluorophenyl)sulfanylmethyl]-6-nitrophenyl]hydrazine

C13H11F2N3O2S — CID 107353455

IUPAC[2-[(2,5-difluorophenyl)sulfanylmethyl]-6-nitrophenyl]hydrazine
SMILESNNc1c(CSc2cc(F)ccc2F)cccc1[N+](=O)[O-]
InChIInChI=1S/C13H11F2N3O2S/c14-9-4-5-10(15)12(6-9)21-7-8-2-1-3-11(18(19)20)13(8)17-16/h1-6,17H,7,16H2
InChIKeyHNMMZKZQJMJMKY-UHFFFAOYSA-N
MW311.31 g/mol
LogP3.45
Rot. Bonds5

About [2-[(2,5-difluorophenyl)sulfanylmethyl]-6-nitrophenyl]hydrazine

[2-[(2,5-difluorophenyl)sulfanylmethyl]-6-nitrophenyl]hydrazine (PubChem CID 107353455) has the molecular formula C13H11F2N3O2S and a molecular weight of 311.31 g/mol. Its IUPAC name is [2-[(2,5-difluorophenyl)sulfanylmethyl]-6-nitrophenyl]hydrazine.

Molecular Properties

Compound Name[2-[(2,5-difluorophenyl)sulfanylmethyl]-6-nitrophenyl]hydrazine
PubChem CID107353455
Molecular FormulaC13H11F2N3O2S
Molecular Weight311.31 g/mol
Exact Mass311.05
IUPAC Name[2-[(2,5-difluorophenyl)sulfanylmethyl]-6-nitrophenyl]hydrazine
SMILESNNc1c(CSc2cc(F)ccc2F)cccc1[N+](=O)[O-]
InChIInChI=1S/C13H11F2N3O2S/c14-9-4-5-10(15)12(6-9)21-7-8-2-1-3-11(18(19)20)13(8)17-16/h1-6,17H,7,16H2
InChIKeyHNMMZKZQJMJMKY-UHFFFAOYSA-N
XLogP3.45
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-[(2,5-dichlorophenyl)sulfanylmethyl]-6-nitrophenyl]hydrazine
CID 107353432
[2-[(2-bromo-5-fluorophenoxy)methyl]-6-nitrophenyl]hydrazine
CID 107353395
[2-[(2-bromo-4-fluorophenoxy)methyl]-6-nitrophenyl]hydrazine
CID 107353292
(2-fluoro-6-nitrophenyl)hydrazine
CID 81310893
N-ethyl-2-[(3-fluorophenyl)sulfanylmethyl]-6-nitroaniline
CID 107352802
3-fluoro-N-[(2-hydrazinyl-3-nitrophenyl)methyl]-N-methylaniline
CID 107352931
[2-(bromomethyl)-6-nitrophenyl]hydrazine
CID 118855249
[2-[(3-bromo-2-pyridinyl)sulfanylmethyl]-6-nitrophenyl]hydrazine
CID 107353493
4-fluoro-3-[(2-nitrophenyl)methylsulfanyl]benzoic acid
CID 80555186
2-[(2,5-difluorophenyl)sulfanylmethyl]-N-methyl-4-nitroaniline
CID 62189840
3-[(2-hydrazinyl-3-nitrophenyl)methylsulfanyl]butan-1-ol
CID 107353498
[2-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-nitrophenyl]hydrazine
CID 107353512

Frequently Asked Questions

What is the IUPAC name of [2-[(2,5-difluorophenyl)sulfanylmethyl]-6-nitrophenyl]hydrazine?
The IUPAC name of [2-[(2,5-difluorophenyl)sulfanylmethyl]-6-nitrophenyl]hydrazine (CID 107353455) is [2-[(2,5-difluorophenyl)sulfanylmethyl]-6-nitrophenyl]hydrazine.
What is the SMILES notation for [2-[(2,5-difluorophenyl)sulfanylmethyl]-6-nitrophenyl]hydrazine?
The canonical SMILES for [2-[(2,5-difluorophenyl)sulfanylmethyl]-6-nitrophenyl]hydrazine is NNc1c(CSc2cc(F)ccc2F)cccc1[N+](=O)[O-].
What is the InChIKey of [2-[(2,5-difluorophenyl)sulfanylmethyl]-6-nitrophenyl]hydrazine?
The InChIKey is HNMMZKZQJMJMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N3O2S/c14-9-4-5-10(15)12(6-9)21-7-8-2-1-3-11(18(19)20)13(8)17-16/h1-6,17H,7,16H2.
What are the key properties of [2-[(2,5-difluorophenyl)sulfanylmethyl]-6-nitrophenyl]hydrazine?
[2-[(2,5-difluorophenyl)sulfanylmethyl]-6-nitrophenyl]hydrazine has a molecular weight of 311.31 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,5-difluorophenyl)sulfanylmethyl]-6-nitrophenyl]hydrazine is sourced from PubChem (CID 107353455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).