[1-(2,5-difluorophenyl)-3-(2-methylpropylsulfanyl)propan-2-yl]hydrazine

C13H20F2N2S — CID 105226723

IUPAC[1-(2,5-difluorophenyl)-3-(2-methylpropylsulfanyl)propan-2-yl]hydrazine
SMILESCC(C)CSCC(Cc1cc(F)ccc1F)NN
InChIInChI=1S/C13H20F2N2S/c1-9(2)7-18-8-12(17-16)6-10-5-11(14)3-4-13(10)15/h3-5,9,12,17H,6-8,16H2,1-2H3
InChIKeyJUOUNCMNWAFCSX-UHFFFAOYSA-N
MW274.38 g/mol
LogP2.73
Rot. Bonds7

About [1-(2,5-difluorophenyl)-3-(2-methylpropylsulfanyl)propan-2-yl]hydrazine

[1-(2,5-difluorophenyl)-3-(2-methylpropylsulfanyl)propan-2-yl]hydrazine (PubChem CID 105226723) has the molecular formula C13H20F2N2S and a molecular weight of 274.38 g/mol. Its IUPAC name is [1-(2,5-difluorophenyl)-3-(2-methylpropylsulfanyl)propan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(2,5-difluorophenyl)-3-(2-methylpropylsulfanyl)propan-2-yl]hydrazine
PubChem CID105226723
Molecular FormulaC13H20F2N2S
Molecular Weight274.38 g/mol
Exact Mass274.13
IUPAC Name[1-(2,5-difluorophenyl)-3-(2-methylpropylsulfanyl)propan-2-yl]hydrazine
SMILESCC(C)CSCC(Cc1cc(F)ccc1F)NN
InChIInChI=1S/C13H20F2N2S/c1-9(2)7-18-8-12(17-16)6-10-5-11(14)3-4-13(10)15/h3-5,9,12,17H,6-8,16H2,1-2H3
InChIKeyJUOUNCMNWAFCSX-UHFFFAOYSA-N
XLogP2.73
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.38
LogP ≤ 52.73
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-(2,5-difluorophenyl)-N-ethyl-3-(2-methylpropylsulfanyl)propan-2-amine
CID 65135476
1-(2,5-difluorophenyl)pentan-2-ylhydrazine
CID 105202060
[1-(2,5-difluorophenyl)-4-methylhexan-2-yl]hydrazine
CID 105288918
[1-(2-chloro-5-fluorophenyl)-3-ethylsulfanylpropan-2-yl]hydrazine
CID 102623322
[1-(2-bromo-4-fluorophenyl)-3-ethylsulfanylpropan-2-yl]hydrazine
CID 105225306
[1-(2,5-difluorophenyl)-5,5,5-trifluoropentan-2-yl]hydrazine
CID 105248918
1-(2,4-difluorophenyl)-3-(2-methylpropylsulfanyl)propan-2-amine
CID 65135064
[1-(5-bromo-2-fluorophenyl)-3-propylsulfanylpropan-2-yl]hydrazine
CID 105225719
[1-(3-bromophenyl)sulfanyl-3-(2,5-difluorophenyl)propan-2-yl]hydrazine
CID 105238323
[2-(2,5-difluorophenyl)-1-(4-propan-2-ylphenyl)ethyl]hydrazine
CID 105194039
[1-(2,5-difluorophenyl)-4-(furan-2-yl)butan-2-yl]hydrazine
CID 105288848
[1-(2-bromo-5-methoxyphenyl)-3-(2-methylpropylsulfanyl)propan-2-yl]hydrazine
CID 105226806

Frequently Asked Questions

What is the IUPAC name of [1-(2,5-difluorophenyl)-3-(2-methylpropylsulfanyl)propan-2-yl]hydrazine?
The IUPAC name of [1-(2,5-difluorophenyl)-3-(2-methylpropylsulfanyl)propan-2-yl]hydrazine (CID 105226723) is [1-(2,5-difluorophenyl)-3-(2-methylpropylsulfanyl)propan-2-yl]hydrazine.
What is the SMILES notation for [1-(2,5-difluorophenyl)-3-(2-methylpropylsulfanyl)propan-2-yl]hydrazine?
The canonical SMILES for [1-(2,5-difluorophenyl)-3-(2-methylpropylsulfanyl)propan-2-yl]hydrazine is CC(C)CSCC(Cc1cc(F)ccc1F)NN.
What is the InChIKey of [1-(2,5-difluorophenyl)-3-(2-methylpropylsulfanyl)propan-2-yl]hydrazine?
The InChIKey is JUOUNCMNWAFCSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N2S/c1-9(2)7-18-8-12(17-16)6-10-5-11(14)3-4-13(10)15/h3-5,9,12,17H,6-8,16H2,1-2H3.
What are the key properties of [1-(2,5-difluorophenyl)-3-(2-methylpropylsulfanyl)propan-2-yl]hydrazine?
[1-(2,5-difluorophenyl)-3-(2-methylpropylsulfanyl)propan-2-yl]hydrazine has a molecular weight of 274.38 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,5-difluorophenyl)-3-(2-methylpropylsulfanyl)propan-2-yl]hydrazine is sourced from PubChem (CID 105226723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).