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

C13H14ClFN2S — CID 103043829

IUPAC[1-(3-chloro-4-fluorophenyl)-3-thiophen-2-ylpropan-2-yl]hydrazine
SMILESNNC(Cc1ccc(F)c(Cl)c1)Cc1cccs1
InChIInChI=1S/C13H14ClFN2S/c14-12-7-9(3-4-13(12)15)6-10(17-16)8-11-2-1-5-18-11/h1-5,7,10,17H,6,8,16H2
InChIKeyCFHXURNAKKDBBY-UHFFFAOYSA-N
MW284.79 g/mol
LogP3.16
Rot. Bonds5

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

[1-(3-chloro-4-fluorophenyl)-3-thiophen-2-ylpropan-2-yl]hydrazine (PubChem CID 103043829) has the molecular formula C13H14ClFN2S and a molecular weight of 284.79 g/mol. Its IUPAC name is [1-(3-chloro-4-fluorophenyl)-3-thiophen-2-ylpropan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(3-chloro-4-fluorophenyl)-3-thiophen-2-ylpropan-2-yl]hydrazine
PubChem CID103043829
Molecular FormulaC13H14ClFN2S
Molecular Weight284.79 g/mol
Exact Mass284.06
IUPAC Name[1-(3-chloro-4-fluorophenyl)-3-thiophen-2-ylpropan-2-yl]hydrazine
SMILESNNC(Cc1ccc(F)c(Cl)c1)Cc1cccs1
InChIInChI=1S/C13H14ClFN2S/c14-12-7-9(3-4-13(12)15)6-10(17-16)8-11-2-1-5-18-11/h1-5,7,10,17H,6,8,16H2
InChIKeyCFHXURNAKKDBBY-UHFFFAOYSA-N
XLogP3.16
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 53.16
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-(5-chloro-2-fluorophenyl)-3-thiophen-2-ylpropan-2-yl]hydrazine
CID 103053551
[1-(4-chloro-2-fluorophenyl)-3-thiophen-2-ylpropan-2-yl]hydrazine
CID 105211872
1-(4-chloro-3-fluorophenyl)-3-thiophen-2-ylpropan-2-amine
CID 107884640
[1-(2-chloro-4-methylphenyl)-3-thiophen-2-ylpropan-2-yl]hydrazine
CID 106868502
1-(3-chloro-4-fluorophenyl)heptan-2-ylhydrazine
CID 103044391
[1-(4-fluoro-2-methylphenyl)-3-thiophen-2-ylpropan-2-yl]hydrazine
CID 105211952
1-(4-chlorophenyl)-N-propyl-3-thiophen-2-ylpropan-2-amine
CID 62502526
[1-(3-chloro-4-fluorophenyl)-3-(4-methylphenyl)sulfanylpropan-2-yl]hydrazine
CID 103043949
[1-(4-bromophenyl)sulfanyl-3-(3-chloro-4-fluorophenyl)propan-2-yl]hydrazine
CID 103043942
[1-(3-bromo-4-fluorophenyl)-3-(4-chlorophenyl)propan-2-yl]hydrazine
CID 105197541
[1-(4-bromothiophen-2-yl)-3-(4-chlorophenyl)propan-2-yl]hydrazine
CID 105197753
[2-(3-chloro-4-fluorophenyl)-1-(5-chlorofuran-2-yl)ethyl]hydrazine
CID 106694830

Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-4-fluorophenyl)-3-thiophen-2-ylpropan-2-yl]hydrazine?
The IUPAC name of [1-(3-chloro-4-fluorophenyl)-3-thiophen-2-ylpropan-2-yl]hydrazine (CID 103043829) is [1-(3-chloro-4-fluorophenyl)-3-thiophen-2-ylpropan-2-yl]hydrazine.
What is the SMILES notation for [1-(3-chloro-4-fluorophenyl)-3-thiophen-2-ylpropan-2-yl]hydrazine?
The canonical SMILES for [1-(3-chloro-4-fluorophenyl)-3-thiophen-2-ylpropan-2-yl]hydrazine is NNC(Cc1ccc(F)c(Cl)c1)Cc1cccs1.
What is the InChIKey of [1-(3-chloro-4-fluorophenyl)-3-thiophen-2-ylpropan-2-yl]hydrazine?
The InChIKey is CFHXURNAKKDBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFN2S/c14-12-7-9(3-4-13(12)15)6-10(17-16)8-11-2-1-5-18-11/h1-5,7,10,17H,6,8,16H2.
What are the key properties of [1-(3-chloro-4-fluorophenyl)-3-thiophen-2-ylpropan-2-yl]hydrazine?
[1-(3-chloro-4-fluorophenyl)-3-thiophen-2-ylpropan-2-yl]hydrazine has a molecular weight of 284.79 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloro-4-fluorophenyl)-3-thiophen-2-ylpropan-2-yl]hydrazine is sourced from PubChem (CID 103043829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).