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

C13H20ClFN2O — CID 103025467

IUPAC[1-(2-chloro-3-fluorophenyl)-4-methoxy-4-methylpentan-2-yl]hydrazine
SMILESCOC(C)(C)CC(Cc1cccc(F)c1Cl)NN
InChIInChI=1S/C13H20ClFN2O/c1-13(2,18-3)8-10(17-16)7-9-5-4-6-11(15)12(9)14/h4-6,10,17H,7-8,16H2,1-3H3
InChIKeyPPPBAKUKAGKVDL-UHFFFAOYSA-N
MW274.77 g/mol
LogP2.67
Rot. Bonds6

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

[1-(2-chloro-3-fluorophenyl)-4-methoxy-4-methylpentan-2-yl]hydrazine (PubChem CID 103025467) has the molecular formula C13H20ClFN2O and a molecular weight of 274.77 g/mol. Its IUPAC name is [1-(2-chloro-3-fluorophenyl)-4-methoxy-4-methylpentan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(2-chloro-3-fluorophenyl)-4-methoxy-4-methylpentan-2-yl]hydrazine
PubChem CID103025467
Molecular FormulaC13H20ClFN2O
Molecular Weight274.77 g/mol
Exact Mass274.12
IUPAC Name[1-(2-chloro-3-fluorophenyl)-4-methoxy-4-methylpentan-2-yl]hydrazine
SMILESCOC(C)(C)CC(Cc1cccc(F)c1Cl)NN
InChIInChI=1S/C13H20ClFN2O/c1-13(2,18-3)8-10(17-16)7-9-5-4-6-11(15)12(9)14/h4-6,10,17H,7-8,16H2,1-3H3
InChIKeyPPPBAKUKAGKVDL-UHFFFAOYSA-N
XLogP2.67
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.77
LogP ≤ 52.67
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-Chloro-6-fluorophenyl)-4-methoxy-4-methylpentan-2-amine
CID 103024949
1-(2-chloro-6-fluorophenyl)-4-methoxy-N,4-dimethylpentan-2-amine
CID 103024950
1-(2-chloro-6-fluorophenyl)-N-ethyl-4-methoxy-4-methylpentan-2-amine
CID 103024951
1-(2-chloro-6-fluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine
CID 103024952
[1-(4-Fluorophenyl)-4-methoxy-4-methylpentan-2-yl]hydrazine
CID 103025172
[1-(4-Fluorophenyl)-3-methoxy-3-methylbutyl]hydrazine
CID 103025174
[1-(2-Fluorophenyl)-4-methoxy-4-methylpentan-2-yl]hydrazine
CID 103025178
[1-(3-Fluorophenyl)-3-methoxy-3-methylbutyl]hydrazine
CID 103025183
[1-(2,5-Difluorophenyl)-4-methoxy-4-methylpentan-2-yl]hydrazine
CID 103025205
[1-(2-Chloro-6-fluorophenyl)-4-methoxy-4-methylpentan-2-yl]hydrazine
CID 103025206
[1-(2,4-Difluorophenyl)-4-methoxy-4-methylpentan-2-yl]hydrazine
CID 103025221
[1-(2-Fluorophenyl)-3-methoxy-3-methylbutyl]hydrazine
CID 103025223

Frequently Asked Questions

What is the IUPAC name of [1-(2-chloro-3-fluorophenyl)-4-methoxy-4-methylpentan-2-yl]hydrazine?
The IUPAC name of [1-(2-chloro-3-fluorophenyl)-4-methoxy-4-methylpentan-2-yl]hydrazine (CID 103025467) is [1-(2-chloro-3-fluorophenyl)-4-methoxy-4-methylpentan-2-yl]hydrazine.
What is the SMILES notation for [1-(2-chloro-3-fluorophenyl)-4-methoxy-4-methylpentan-2-yl]hydrazine?
The canonical SMILES for [1-(2-chloro-3-fluorophenyl)-4-methoxy-4-methylpentan-2-yl]hydrazine is COC(C)(C)CC(Cc1cccc(F)c1Cl)NN.
What is the InChIKey of [1-(2-chloro-3-fluorophenyl)-4-methoxy-4-methylpentan-2-yl]hydrazine?
The InChIKey is PPPBAKUKAGKVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClFN2O/c1-13(2,18-3)8-10(17-16)7-9-5-4-6-11(15)12(9)14/h4-6,10,17H,7-8,16H2,1-3H3.
What are the key properties of [1-(2-chloro-3-fluorophenyl)-4-methoxy-4-methylpentan-2-yl]hydrazine?
[1-(2-chloro-3-fluorophenyl)-4-methoxy-4-methylpentan-2-yl]hydrazine has a molecular weight of 274.77 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chloro-3-fluorophenyl)-4-methoxy-4-methylpentan-2-yl]hydrazine is sourced from PubChem (CID 103025467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).