[1-(2-chloro-4-fluorophenyl)-5-methoxyhexan-2-yl]hydrazine

C13H20ClFN2O — CID 105295227

IUPAC[1-(2-chloro-4-fluorophenyl)-5-methoxyhexan-2-yl]hydrazine
SMILESCOC(C)CCC(Cc1ccc(F)cc1Cl)NN
InChIInChI=1S/C13H20ClFN2O/c1-9(18-2)3-6-12(17-16)7-10-4-5-11(15)8-13(10)14/h4-5,8-9,12,17H,3,6-7,16H2,1-2H3
InChIKeyIQZHKVGIOMYHKJ-UHFFFAOYSA-N
MW274.77 g/mol
LogP2.67
Rot. Bonds7

About [1-(2-chloro-4-fluorophenyl)-5-methoxyhexan-2-yl]hydrazine

[1-(2-chloro-4-fluorophenyl)-5-methoxyhexan-2-yl]hydrazine (PubChem CID 105295227) has the molecular formula C13H20ClFN2O and a molecular weight of 274.77 g/mol. Its IUPAC name is [1-(2-chloro-4-fluorophenyl)-5-methoxyhexan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(2-chloro-4-fluorophenyl)-5-methoxyhexan-2-yl]hydrazine
PubChem CID105295227
Molecular FormulaC13H20ClFN2O
Molecular Weight274.77 g/mol
Exact Mass274.12
IUPAC Name[1-(2-chloro-4-fluorophenyl)-5-methoxyhexan-2-yl]hydrazine
SMILESCOC(C)CCC(Cc1ccc(F)cc1Cl)NN
InChIInChI=1S/C13H20ClFN2O/c1-9(18-2)3-6-12(17-16)7-10-4-5-11(15)8-13(10)14/h4-5,8-9,12,17H,3,6-7,16H2,1-2H3
InChIKeyIQZHKVGIOMYHKJ-UHFFFAOYSA-N
XLogP2.67
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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-4-fluorophenyl)-5-methoxy-N-methylhexan-2-amine
CID 105133236
[1-(2-chlorophenyl)-5-methoxyhexan-2-yl]hydrazine
CID 105286578
[1-(2-chloro-4-fluorophenyl)-3-(4-methoxyphenyl)propan-2-yl]hydrazine
CID 105205338
[1-(2-chloro-4-fluorophenyl)-3-(3,5-dimethylphenyl)propan-2-yl]hydrazine
CID 105212582
[1-(2-chloro-6-fluorophenyl)-5-methoxyhexan-2-yl]hydrazine
CID 105289068
[1-(4-bromo-2-fluorophenyl)-3-(2-chloro-4-fluorophenyl)propan-2-yl]hydrazine
CID 105216081
1-(2-chloro-4-methylphenyl)-5-methoxy-N-methylhexan-2-amine
CID 106865944
[1-(2-chloro-4-fluorophenyl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-yl]hydrazine
CID 105216085
[1-(2-chloro-4-fluorophenyl)-3-(2-chloro-6-fluorophenyl)propan-2-yl]hydrazine
CID 105215894
[1-(2-chloro-4-fluorophenyl)-3-(3-chlorophenyl)propan-2-yl]hydrazine
CID 105194827
1,3-bis(2-chloro-4-fluorophenyl)-N-methylpropan-2-amine
CID 63419768
[1-(2-chloro-4-fluorophenyl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105216212

Frequently Asked Questions

What is the IUPAC name of [1-(2-chloro-4-fluorophenyl)-5-methoxyhexan-2-yl]hydrazine?
The IUPAC name of [1-(2-chloro-4-fluorophenyl)-5-methoxyhexan-2-yl]hydrazine (CID 105295227) is [1-(2-chloro-4-fluorophenyl)-5-methoxyhexan-2-yl]hydrazine.
What is the SMILES notation for [1-(2-chloro-4-fluorophenyl)-5-methoxyhexan-2-yl]hydrazine?
The canonical SMILES for [1-(2-chloro-4-fluorophenyl)-5-methoxyhexan-2-yl]hydrazine is COC(C)CCC(Cc1ccc(F)cc1Cl)NN.
What is the InChIKey of [1-(2-chloro-4-fluorophenyl)-5-methoxyhexan-2-yl]hydrazine?
The InChIKey is IQZHKVGIOMYHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClFN2O/c1-9(18-2)3-6-12(17-16)7-10-4-5-11(15)8-13(10)14/h4-5,8-9,12,17H,3,6-7,16H2,1-2H3.
What are the key properties of [1-(2-chloro-4-fluorophenyl)-5-methoxyhexan-2-yl]hydrazine?
[1-(2-chloro-4-fluorophenyl)-5-methoxyhexan-2-yl]hydrazine has a molecular weight of 274.77 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chloro-4-fluorophenyl)-5-methoxyhexan-2-yl]hydrazine is sourced from PubChem (CID 105295227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).