[1-(2-bromo-3-fluorophenyl)-3-cyclopentylsulfanylpropan-2-yl]hydrazine

C14H20BrFN2S — CID 105227417

IUPAC[1-(2-bromo-3-fluorophenyl)-3-cyclopentylsulfanylpropan-2-yl]hydrazine
SMILESNNC(CSC1CCCC1)Cc1cccc(F)c1Br
InChIInChI=1S/C14H20BrFN2S/c15-14-10(4-3-7-13(14)16)8-11(18-17)9-19-12-5-1-2-6-12/h3-4,7,11-12,18H,1-2,5-6,8-9,17H2
InChIKeyCGLKAMZNBDCGDH-UHFFFAOYSA-N
MW347.30 g/mol
LogP3.64
Rot. Bonds6

About [1-(2-bromo-3-fluorophenyl)-3-cyclopentylsulfanylpropan-2-yl]hydrazine

[1-(2-bromo-3-fluorophenyl)-3-cyclopentylsulfanylpropan-2-yl]hydrazine (PubChem CID 105227417) has the molecular formula C14H20BrFN2S and a molecular weight of 347.30 g/mol. Its IUPAC name is [1-(2-bromo-3-fluorophenyl)-3-cyclopentylsulfanylpropan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(2-bromo-3-fluorophenyl)-3-cyclopentylsulfanylpropan-2-yl]hydrazine
PubChem CID105227417
Molecular FormulaC14H20BrFN2S
Molecular Weight347.30 g/mol
Exact Mass346.05
IUPAC Name[1-(2-bromo-3-fluorophenyl)-3-cyclopentylsulfanylpropan-2-yl]hydrazine
SMILESNNC(CSC1CCCC1)Cc1cccc(F)c1Br
InChIInChI=1S/C14H20BrFN2S/c15-14-10(4-3-7-13(14)16)8-11(18-17)9-19-12-5-1-2-6-12/h3-4,7,11-12,18H,1-2,5-6,8-9,17H2
InChIKeyCGLKAMZNBDCGDH-UHFFFAOYSA-N
XLogP3.64
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.30
LogP ≤ 53.64
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-cyclopentylsulfanyl-3-naphthalen-1-ylpropan-2-yl)hydrazine
CID 105227571
[1-(2-bromo-5-fluorophenyl)-3-cyclohexylsulfanylpropan-2-yl]hydrazine
CID 105227890
[1-(2-bromo-3-fluorophenyl)-3-(2,6-difluorophenyl)propan-2-yl]hydrazine
CID 105327024
[2-(2-bromo-3-fluorophenyl)-1-cyclooctylethyl]hydrazine
CID 105255038
[1-cyclopentylsulfanyl-3-(4-fluoro-2-methylphenyl)propan-2-yl]hydrazine
CID 105227601
1-cyclopentylsulfanyl-3-(2,3-difluorophenyl)-N-ethylpropan-2-amine
CID 65139211
[1-cyclopentylsulfanyl-3-(2,5-dichlorophenyl)propan-2-yl]hydrazine
CID 105227623
[1-cyclohexylsulfanyl-3-(2,6-dichlorophenyl)propan-2-yl]hydrazine
CID 105227721
1-(2-bromo-3-fluorophenyl)-3-cyclopentyl-N-ethylpropan-2-amine
CID 105020430
[1-(2-bromo-5-methoxyphenyl)-3-cyclopentylsulfanylpropan-2-yl]hydrazine
CID 105227494
[1-(2-bromo-3-fluorophenyl)-3-(2-chlorophenyl)propan-2-yl]hydrazine
CID 105209469
1-cyclohexylsulfanyl-3-(2-fluorophenyl)propan-2-amine
CID 65139996

Frequently Asked Questions

What is the IUPAC name of [1-(2-bromo-3-fluorophenyl)-3-cyclopentylsulfanylpropan-2-yl]hydrazine?
The IUPAC name of [1-(2-bromo-3-fluorophenyl)-3-cyclopentylsulfanylpropan-2-yl]hydrazine (CID 105227417) is [1-(2-bromo-3-fluorophenyl)-3-cyclopentylsulfanylpropan-2-yl]hydrazine.
What is the SMILES notation for [1-(2-bromo-3-fluorophenyl)-3-cyclopentylsulfanylpropan-2-yl]hydrazine?
The canonical SMILES for [1-(2-bromo-3-fluorophenyl)-3-cyclopentylsulfanylpropan-2-yl]hydrazine is NNC(CSC1CCCC1)Cc1cccc(F)c1Br.
What is the InChIKey of [1-(2-bromo-3-fluorophenyl)-3-cyclopentylsulfanylpropan-2-yl]hydrazine?
The InChIKey is CGLKAMZNBDCGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrFN2S/c15-14-10(4-3-7-13(14)16)8-11(18-17)9-19-12-5-1-2-6-12/h3-4,7,11-12,18H,1-2,5-6,8-9,17H2.
What are the key properties of [1-(2-bromo-3-fluorophenyl)-3-cyclopentylsulfanylpropan-2-yl]hydrazine?
[1-(2-bromo-3-fluorophenyl)-3-cyclopentylsulfanylpropan-2-yl]hydrazine has a molecular weight of 347.30 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-bromo-3-fluorophenyl)-3-cyclopentylsulfanylpropan-2-yl]hydrazine is sourced from PubChem (CID 105227417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).