[1-(4-chloro-3-fluorophenyl)-5-methoxypentan-2-yl]hydrazine

C12H18ClFN2O — CID 107895069

IUPAC[1-(4-chloro-3-fluorophenyl)-5-methoxypentan-2-yl]hydrazine
SMILESCOCCCC(Cc1ccc(Cl)c(F)c1)NN
InChIInChI=1S/C12H18ClFN2O/c1-17-6-2-3-10(16-15)7-9-4-5-11(13)12(14)8-9/h4-5,8,10,16H,2-3,6-7,15H2,1H3
InChIKeyHGZPGMRJGIEXIU-UHFFFAOYSA-N
MW260.74 g/mol
LogP2.28
Rot. Bonds7

About [1-(4-chloro-3-fluorophenyl)-5-methoxypentan-2-yl]hydrazine

[1-(4-chloro-3-fluorophenyl)-5-methoxypentan-2-yl]hydrazine (PubChem CID 107895069) has the molecular formula C12H18ClFN2O and a molecular weight of 260.74 g/mol. Its IUPAC name is [1-(4-chloro-3-fluorophenyl)-5-methoxypentan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(4-chloro-3-fluorophenyl)-5-methoxypentan-2-yl]hydrazine
PubChem CID107895069
Molecular FormulaC12H18ClFN2O
Molecular Weight260.74 g/mol
Exact Mass260.11
IUPAC Name[1-(4-chloro-3-fluorophenyl)-5-methoxypentan-2-yl]hydrazine
SMILESCOCCCC(Cc1ccc(Cl)c(F)c1)NN
InChIInChI=1S/C12H18ClFN2O/c1-17-6-2-3-10(16-15)7-9-4-5-11(13)12(14)8-9/h4-5,8,10,16H,2-3,6-7,15H2,1H3
InChIKeyHGZPGMRJGIEXIU-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-(4-chloro-3-fluorophenyl)-5-methoxypentan-2-amine
CID 107884756
[1-(3-bromo-4-fluorophenyl)-5-methoxypentan-2-yl]hydrazine
CID 105224905
[1-(3,4-difluorophenyl)-4-methoxybutan-2-yl]hydrazine
CID 105206458
[1-(5-chloro-2-fluorophenyl)-5-methoxypentan-2-yl]hydrazine
CID 103053586
[1-(3,5-difluorophenyl)-5-methoxypentan-2-yl]hydrazine
CID 105206742
[1-(2,4-dichlorophenyl)-5-methoxypentan-2-yl]hydrazine
CID 105200199
[1-(3,4-dichlorophenyl)-4-(2-methoxyethoxy)butan-2-yl]hydrazine
CID 102929753
[1-(3-chloro-2-fluorophenyl)-5-methoxypentan-2-yl]hydrazine
CID 105264431
[1-(4-chloro-3-fluorophenyl)-4,4,4-trifluorobutan-2-yl]hydrazine
CID 107894856
1-(3-chloro-4-fluorophenyl)heptan-2-ylhydrazine
CID 103044391
1-(4-chloro-3-fluorophenyl)-3-methoxypropan-2-amine
CID 107884589
[2-(4-chloro-3-fluorophenyl)-1-(4-methoxyphenyl)ethyl]hydrazine
CID 107894760

Frequently Asked Questions

What is the IUPAC name of [1-(4-chloro-3-fluorophenyl)-5-methoxypentan-2-yl]hydrazine?
The IUPAC name of [1-(4-chloro-3-fluorophenyl)-5-methoxypentan-2-yl]hydrazine (CID 107895069) is [1-(4-chloro-3-fluorophenyl)-5-methoxypentan-2-yl]hydrazine.
What is the SMILES notation for [1-(4-chloro-3-fluorophenyl)-5-methoxypentan-2-yl]hydrazine?
The canonical SMILES for [1-(4-chloro-3-fluorophenyl)-5-methoxypentan-2-yl]hydrazine is COCCCC(Cc1ccc(Cl)c(F)c1)NN.
What is the InChIKey of [1-(4-chloro-3-fluorophenyl)-5-methoxypentan-2-yl]hydrazine?
The InChIKey is HGZPGMRJGIEXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClFN2O/c1-17-6-2-3-10(16-15)7-9-4-5-11(13)12(14)8-9/h4-5,8,10,16H,2-3,6-7,15H2,1H3.
What are the key properties of [1-(4-chloro-3-fluorophenyl)-5-methoxypentan-2-yl]hydrazine?
[1-(4-chloro-3-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-(4-chloro-3-fluorophenyl)-5-methoxypentan-2-yl]hydrazine is sourced from PubChem (CID 107895069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).