[1-(3-chloro-2-fluorophenyl)-3-phenylsulfanylpropan-2-yl]hydrazine

C15H16ClFN2S — CID 102867810

IUPAC[1-(3-chloro-2-fluorophenyl)-3-phenylsulfanylpropan-2-yl]hydrazine
SMILESNNC(CSc1ccccc1)Cc1cccc(Cl)c1F
InChIInChI=1S/C15H16ClFN2S/c16-14-8-4-5-11(15(14)17)9-12(19-18)10-20-13-6-2-1-3-7-13/h1-8,12,19H,9-10,18H2
InChIKeyCLISRJHCKYJUKE-UHFFFAOYSA-N
MW310.83 g/mol
LogP3.65
Rot. Bonds6

About [1-(3-chloro-2-fluorophenyl)-3-phenylsulfanylpropan-2-yl]hydrazine

[1-(3-chloro-2-fluorophenyl)-3-phenylsulfanylpropan-2-yl]hydrazine (PubChem CID 102867810) has the molecular formula C15H16ClFN2S and a molecular weight of 310.83 g/mol. Its IUPAC name is [1-(3-chloro-2-fluorophenyl)-3-phenylsulfanylpropan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(3-chloro-2-fluorophenyl)-3-phenylsulfanylpropan-2-yl]hydrazine
PubChem CID102867810
Molecular FormulaC15H16ClFN2S
Molecular Weight310.83 g/mol
Exact Mass310.07
IUPAC Name[1-(3-chloro-2-fluorophenyl)-3-phenylsulfanylpropan-2-yl]hydrazine
SMILESNNC(CSc1ccccc1)Cc1cccc(Cl)c1F
InChIInChI=1S/C15H16ClFN2S/c16-14-8-4-5-11(15(14)17)9-12(19-18)10-20-13-6-2-1-3-7-13/h1-8,12,19H,9-10,18H2
InChIKeyCLISRJHCKYJUKE-UHFFFAOYSA-N
XLogP3.65
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 53.65
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-chloro-2-fluorophenyl)-N-methyl-3-phenylsulfanylpropan-2-amine
CID 102857633
[1-(2-fluorophenyl)-3-phenylsulfanylpropan-2-yl]hydrazine
CID 105228097
[1-(3-chloro-2-fluorophenyl)-3-(2-chlorophenyl)propan-2-yl]hydrazine
CID 105264393
[1-(3-bromophenyl)sulfanyl-3-(2-chlorophenyl)propan-2-yl]hydrazine
CID 105238390
1-(3-chloro-2-fluorophenyl)-N-methyl-3-(3-methylphenyl)sulfanylpropan-2-amine
CID 102857682
[1-(3-chloro-2-fluorophenyl)-3-(3,4-dichlorophenyl)propan-2-yl]hydrazine
CID 105264302
[1-(2-chloro-3-fluorophenyl)-3-(3-methylphenyl)sulfanylpropan-2-yl]hydrazine
CID 105237086
[1-(5-chlorothiophen-2-yl)-3-phenylsulfanylpropan-2-yl]hydrazine
CID 105228223
[1-(3-chloro-2-fluorophenyl)-3-(4-iodophenyl)propan-2-yl]hydrazine
CID 105264373
1-(3-chloro-2-fluorophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-amine
CID 102857673
[1-(3-chloro-2-fluorophenyl)-5-methoxypentan-2-yl]hydrazine
CID 105264431
[1-(2-chloro-4-fluorophenyl)-3-(2-chlorophenyl)sulfanylpropan-2-yl]hydrazine
CID 105237547

Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-2-fluorophenyl)-3-phenylsulfanylpropan-2-yl]hydrazine?
The IUPAC name of [1-(3-chloro-2-fluorophenyl)-3-phenylsulfanylpropan-2-yl]hydrazine (CID 102867810) is [1-(3-chloro-2-fluorophenyl)-3-phenylsulfanylpropan-2-yl]hydrazine.
What is the SMILES notation for [1-(3-chloro-2-fluorophenyl)-3-phenylsulfanylpropan-2-yl]hydrazine?
The canonical SMILES for [1-(3-chloro-2-fluorophenyl)-3-phenylsulfanylpropan-2-yl]hydrazine is NNC(CSc1ccccc1)Cc1cccc(Cl)c1F.
What is the InChIKey of [1-(3-chloro-2-fluorophenyl)-3-phenylsulfanylpropan-2-yl]hydrazine?
The InChIKey is CLISRJHCKYJUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2S/c16-14-8-4-5-11(15(14)17)9-12(19-18)10-20-13-6-2-1-3-7-13/h1-8,12,19H,9-10,18H2.
What are the key properties of [1-(3-chloro-2-fluorophenyl)-3-phenylsulfanylpropan-2-yl]hydrazine?
[1-(3-chloro-2-fluorophenyl)-3-phenylsulfanylpropan-2-yl]hydrazine has a molecular weight of 310.83 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloro-2-fluorophenyl)-3-phenylsulfanylpropan-2-yl]hydrazine is sourced from PubChem (CID 102867810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).