[1-(4-chloro-3-fluorophenyl)-3-cyclohexylsulfanylpropan-2-yl]hydrazine

C15H22ClFN2S — CID 107895084

IUPAC[1-(4-chloro-3-fluorophenyl)-3-cyclohexylsulfanylpropan-2-yl]hydrazine
SMILESNNC(CSC1CCCCC1)Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C15H22ClFN2S/c16-14-7-6-11(9-15(14)17)8-12(19-18)10-20-13-4-2-1-3-5-13/h6-7,9,12-13,19H,1-5,8,10,18H2
InChIKeyKQQULRWFPBQEMJ-UHFFFAOYSA-N
MW316.87 g/mol
LogP3.92
Rot. Bonds6

About [1-(4-chloro-3-fluorophenyl)-3-cyclohexylsulfanylpropan-2-yl]hydrazine

[1-(4-chloro-3-fluorophenyl)-3-cyclohexylsulfanylpropan-2-yl]hydrazine (PubChem CID 107895084) has the molecular formula C15H22ClFN2S and a molecular weight of 316.87 g/mol. Its IUPAC name is [1-(4-chloro-3-fluorophenyl)-3-cyclohexylsulfanylpropan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(4-chloro-3-fluorophenyl)-3-cyclohexylsulfanylpropan-2-yl]hydrazine
PubChem CID107895084
Molecular FormulaC15H22ClFN2S
Molecular Weight316.87 g/mol
Exact Mass316.12
IUPAC Name[1-(4-chloro-3-fluorophenyl)-3-cyclohexylsulfanylpropan-2-yl]hydrazine
SMILESNNC(CSC1CCCCC1)Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C15H22ClFN2S/c16-14-7-6-11(9-15(14)17)8-12(19-18)10-20-13-4-2-1-3-5-13/h6-7,9,12-13,19H,1-5,8,10,18H2
InChIKeyKQQULRWFPBQEMJ-UHFFFAOYSA-N
XLogP3.92
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.87
LogP ≤ 53.92
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-(4-chloro-3-fluorophenyl)-3-cyclopentylsulfanyl-N-ethylpropan-2-amine
CID 107884779
[1-cyclohexylsulfanyl-3-(3,4-dimethylphenyl)propan-2-yl]hydrazine
CID 105227835
[1-cyclopentylsulfanyl-3-(2,5-dichlorophenyl)propan-2-yl]hydrazine
CID 105227623
[1-(4-chloro-3-fluorophenyl)-3-cyclobutylpropan-2-yl]hydrazine
CID 107895453
[1-cyclohexylsulfanyl-3-(2,6-dichlorophenyl)propan-2-yl]hydrazine
CID 105227721
[1-cyclopentylsulfanyl-3-(4-methylphenyl)propan-2-yl]hydrazine
CID 105227574
[1-cyclohexylsulfanyl-3-(3,5-dimethylphenyl)propan-2-yl]hydrazine
CID 105227768
[1-cyclopentylsulfanyl-3-[3-(trifluoromethyl)phenyl]propan-2-yl]hydrazine
CID 105227477
(1-cyclohexylsulfanyl-3-thiophen-3-ylpropan-2-yl)hydrazine
CID 105227893
[1-(2-chloro-5-fluorophenyl)-2-cyclohexylsulfanylethyl]hydrazine
CID 105397841
2-(4-chloro-3-fluorophenyl)-1-cyclohexylethanamine
CID 114012687
[1-(4-chloro-3-fluorophenyl)-4,4,4-trifluorobutan-2-yl]hydrazine
CID 107894856

Frequently Asked Questions

What is the IUPAC name of [1-(4-chloro-3-fluorophenyl)-3-cyclohexylsulfanylpropan-2-yl]hydrazine?
The IUPAC name of [1-(4-chloro-3-fluorophenyl)-3-cyclohexylsulfanylpropan-2-yl]hydrazine (CID 107895084) is [1-(4-chloro-3-fluorophenyl)-3-cyclohexylsulfanylpropan-2-yl]hydrazine.
What is the SMILES notation for [1-(4-chloro-3-fluorophenyl)-3-cyclohexylsulfanylpropan-2-yl]hydrazine?
The canonical SMILES for [1-(4-chloro-3-fluorophenyl)-3-cyclohexylsulfanylpropan-2-yl]hydrazine is NNC(CSC1CCCCC1)Cc1ccc(Cl)c(F)c1.
What is the InChIKey of [1-(4-chloro-3-fluorophenyl)-3-cyclohexylsulfanylpropan-2-yl]hydrazine?
The InChIKey is KQQULRWFPBQEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClFN2S/c16-14-7-6-11(9-15(14)17)8-12(19-18)10-20-13-4-2-1-3-5-13/h6-7,9,12-13,19H,1-5,8,10,18H2.
What are the key properties of [1-(4-chloro-3-fluorophenyl)-3-cyclohexylsulfanylpropan-2-yl]hydrazine?
[1-(4-chloro-3-fluorophenyl)-3-cyclohexylsulfanylpropan-2-yl]hydrazine has a molecular weight of 316.87 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chloro-3-fluorophenyl)-3-cyclohexylsulfanylpropan-2-yl]hydrazine is sourced from PubChem (CID 107895084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).