[1-(3-chloro-2-fluorophenyl)-5-methoxypentan-2-yl]hydrazine

C12H18ClFN2O — CID 105264431

IUPAC[1-(3-chloro-2-fluorophenyl)-5-methoxypentan-2-yl]hydrazine
SMILESCOCCCC(Cc1cccc(Cl)c1F)NN
InChIInChI=1S/C12H18ClFN2O/c1-17-7-3-5-10(16-15)8-9-4-2-6-11(13)12(9)14/h2,4,6,10,16H,3,5,7-8,15H2,1H3
InChIKeyBRDNCYKEPNZLJX-UHFFFAOYSA-N
MW260.74 g/mol
LogP2.28
Rot. Bonds7

About [1-(3-chloro-2-fluorophenyl)-5-methoxypentan-2-yl]hydrazine

[1-(3-chloro-2-fluorophenyl)-5-methoxypentan-2-yl]hydrazine (PubChem CID 105264431) has the molecular formula C12H18ClFN2O and a molecular weight of 260.74 g/mol. Its IUPAC name is [1-(3-chloro-2-fluorophenyl)-5-methoxypentan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(3-chloro-2-fluorophenyl)-5-methoxypentan-2-yl]hydrazine
PubChem CID105264431
Molecular FormulaC12H18ClFN2O
Molecular Weight260.74 g/mol
Exact Mass260.11
IUPAC Name[1-(3-chloro-2-fluorophenyl)-5-methoxypentan-2-yl]hydrazine
SMILESCOCCCC(Cc1cccc(Cl)c1F)NN
InChIInChI=1S/C12H18ClFN2O/c1-17-7-3-5-10(16-15)8-9-4-2-6-11(13)12(9)14/h2,4,6,10,16H,3,5,7-8,15H2,1H3
InChIKeyBRDNCYKEPNZLJX-UHFFFAOYSA-N
XLogP2.28
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.74
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[1-(3-chloro-2-fluorophenyl)-3-(2-chlorophenyl)propan-2-yl]hydrazine
CID 105264393
1-(3-chloro-2-fluorophenyl)-5-methoxypentan-2-ol
CID 114855035
[1-(5-chloro-2-fluorophenyl)-5-methoxypentan-2-yl]hydrazine
CID 103053586
[1-(2-chlorophenyl)-4-methoxybutan-2-yl]hydrazine
CID 105206395
1-(3-chloro-2-fluorophenyl)-3-methoxy-N-methylpropan-2-amine
CID 82805474
1-(3-chloro-2-fluorophenyl)-4-methoxybutan-2-amine
CID 102857532
[1-(2,4-dichlorophenyl)-5-methoxypentan-2-yl]hydrazine
CID 105200199
[1-(4-chloro-3-fluorophenyl)-5-methoxypentan-2-yl]hydrazine
CID 107895069
[1-(3-chloro-2-fluorophenyl)-3-(4-iodophenyl)propan-2-yl]hydrazine
CID 105264373
[1-(3-chloro-2-fluorophenyl)-3-(3,4-dichlorophenyl)propan-2-yl]hydrazine
CID 105264302
[1-(3-chloro-2-fluorophenyl)-4-cyclohexylbutan-2-yl]hydrazine
CID 102868743
[1-(5-fluoro-2-methylphenyl)-5-methoxypentan-2-yl]hydrazine
CID 105377808

Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-2-fluorophenyl)-5-methoxypentan-2-yl]hydrazine?
The IUPAC name of [1-(3-chloro-2-fluorophenyl)-5-methoxypentan-2-yl]hydrazine (CID 105264431) is [1-(3-chloro-2-fluorophenyl)-5-methoxypentan-2-yl]hydrazine.
What is the SMILES notation for [1-(3-chloro-2-fluorophenyl)-5-methoxypentan-2-yl]hydrazine?
The canonical SMILES for [1-(3-chloro-2-fluorophenyl)-5-methoxypentan-2-yl]hydrazine is COCCCC(Cc1cccc(Cl)c1F)NN.
What is the InChIKey of [1-(3-chloro-2-fluorophenyl)-5-methoxypentan-2-yl]hydrazine?
The InChIKey is BRDNCYKEPNZLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClFN2O/c1-17-7-3-5-10(16-15)8-9-4-2-6-11(13)12(9)14/h2,4,6,10,16H,3,5,7-8,15H2,1H3.
What are the key properties of [1-(3-chloro-2-fluorophenyl)-5-methoxypentan-2-yl]hydrazine?
[1-(3-chloro-2-fluorophenyl)-5-methoxypentan-2-yl]hydrazine has a molecular weight of 260.74 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloro-2-fluorophenyl)-5-methoxypentan-2-yl]hydrazine is sourced from PubChem (CID 105264431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).