[1-(2,3-difluorophenyl)-2-(2-methylpropylsulfanyl)ethyl]hydrazine

C12H18F2N2S — CID 105226770

IUPAC[1-(2,3-difluorophenyl)-2-(2-methylpropylsulfanyl)ethyl]hydrazine
SMILESCC(C)CSCC(NN)c1cccc(F)c1F
InChIInChI=1S/C12H18F2N2S/c1-8(2)6-17-7-11(16-15)9-4-3-5-10(13)12(9)14/h3-5,8,11,16H,6-7,15H2,1-2H3
InChIKeyMNCRNVXDQMQQEL-UHFFFAOYSA-N
MW260.35 g/mol
LogP2.86
Rot. Bonds6

About [1-(2,3-difluorophenyl)-2-(2-methylpropylsulfanyl)ethyl]hydrazine

[1-(2,3-difluorophenyl)-2-(2-methylpropylsulfanyl)ethyl]hydrazine (PubChem CID 105226770) has the molecular formula C12H18F2N2S and a molecular weight of 260.35 g/mol. Its IUPAC name is [1-(2,3-difluorophenyl)-2-(2-methylpropylsulfanyl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(2,3-difluorophenyl)-2-(2-methylpropylsulfanyl)ethyl]hydrazine
PubChem CID105226770
Molecular FormulaC12H18F2N2S
Molecular Weight260.35 g/mol
Exact Mass260.12
IUPAC Name[1-(2,3-difluorophenyl)-2-(2-methylpropylsulfanyl)ethyl]hydrazine
SMILESCC(C)CSCC(NN)c1cccc(F)c1F
InChIInChI=1S/C12H18F2N2S/c1-8(2)6-17-7-11(16-15)9-4-3-5-10(13)12(9)14/h3-5,8,11,16H,6-7,15H2,1-2H3
InChIKeyMNCRNVXDQMQQEL-UHFFFAOYSA-N
XLogP2.86
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.35
LogP ≤ 52.86
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-(2-fluoro-5-methylphenyl)-2-(2-methylpropylsulfanyl)ethyl]hydrazine
CID 105226703
1-(2,3-difluorophenyl)pentylhydrazine
CID 105245668
[2-(2-methylpropylsulfanyl)-1-quinolin-8-ylethyl]hydrazine
CID 105226697
[(1R)-1-(2,3-difluorophenyl)ethyl]hydrazine
CID 124510602
1-(2,3-difluorophenyl)hexylhydrazine
CID 105294688
1-(2,3-difluorophenyl)-N-ethyl-2-ethylsulfanylethanamine
CID 65128040
N-ethyl-2-(2-methylpropylsulfanyl)-1-(2,3,4-trifluorophenyl)ethanamine
CID 65134970
1-(3-bromo-2-fluorophenyl)-N-ethyl-2-(2-methylpropylsulfanyl)ethanamine
CID 106645644
[2-methylsulfanyl-1-(2,3,4-trifluorophenyl)ethyl]hydrazine
CID 105213752
[2-cyclopentyl-1-(2,3-difluorophenyl)ethyl]hydrazine
CID 105299116
[1-(2-fluorophenyl)-3-methylbutyl]hydrazine
CID 105198906
[1-(3-bromo-2-fluorophenyl)-2-(2-fluorophenyl)sulfanylethyl]hydrazine
CID 106649115

Frequently Asked Questions

What is the IUPAC name of [1-(2,3-difluorophenyl)-2-(2-methylpropylsulfanyl)ethyl]hydrazine?
The IUPAC name of [1-(2,3-difluorophenyl)-2-(2-methylpropylsulfanyl)ethyl]hydrazine (CID 105226770) is [1-(2,3-difluorophenyl)-2-(2-methylpropylsulfanyl)ethyl]hydrazine.
What is the SMILES notation for [1-(2,3-difluorophenyl)-2-(2-methylpropylsulfanyl)ethyl]hydrazine?
The canonical SMILES for [1-(2,3-difluorophenyl)-2-(2-methylpropylsulfanyl)ethyl]hydrazine is CC(C)CSCC(NN)c1cccc(F)c1F.
What is the InChIKey of [1-(2,3-difluorophenyl)-2-(2-methylpropylsulfanyl)ethyl]hydrazine?
The InChIKey is MNCRNVXDQMQQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2S/c1-8(2)6-17-7-11(16-15)9-4-3-5-10(13)12(9)14/h3-5,8,11,16H,6-7,15H2,1-2H3.
What are the key properties of [1-(2,3-difluorophenyl)-2-(2-methylpropylsulfanyl)ethyl]hydrazine?
[1-(2,3-difluorophenyl)-2-(2-methylpropylsulfanyl)ethyl]hydrazine has a molecular weight of 260.35 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3-difluorophenyl)-2-(2-methylpropylsulfanyl)ethyl]hydrazine is sourced from PubChem (CID 105226770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).