[1-[3-(difluoromethoxy)phenyl]-5-methoxypentyl]hydrazine

C13H20F2N2O2 — CID 112754856

IUPAC[1-[3-(difluoromethoxy)phenyl]-5-methoxypentyl]hydrazine
SMILESCOCCCCC(NN)c1cccc(OC(F)F)c1
InChIInChI=1S/C13H20F2N2O2/c1-18-8-3-2-7-12(17-16)10-5-4-6-11(9-10)19-13(14)15/h4-6,9,12-13,17H,2-3,7-8,16H2,1H3
InChIKeyMTAJHKSFQZYKCU-UHFFFAOYSA-N
MW274.31 g/mol
LogP2.61
Rot. Bonds9

About [1-[3-(difluoromethoxy)phenyl]-5-methoxypentyl]hydrazine

[1-[3-(difluoromethoxy)phenyl]-5-methoxypentyl]hydrazine (PubChem CID 112754856) has the molecular formula C13H20F2N2O2 and a molecular weight of 274.31 g/mol. Its IUPAC name is [1-[3-(difluoromethoxy)phenyl]-5-methoxypentyl]hydrazine.

Molecular Properties

Compound Name[1-[3-(difluoromethoxy)phenyl]-5-methoxypentyl]hydrazine
PubChem CID112754856
Molecular FormulaC13H20F2N2O2
Molecular Weight274.31 g/mol
Exact Mass274.15
IUPAC Name[1-[3-(difluoromethoxy)phenyl]-5-methoxypentyl]hydrazine
SMILESCOCCCCC(NN)c1cccc(OC(F)F)c1
InChIInChI=1S/C13H20F2N2O2/c1-18-8-3-2-7-12(17-16)10-5-4-6-11(9-10)19-13(14)15/h4-6,9,12-13,17H,2-3,7-8,16H2,1H3
InChIKeyMTAJHKSFQZYKCU-UHFFFAOYSA-N
XLogP2.61
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(difluoromethoxy)phenyl]-N-methylnonan-1-amine
CID 115835552
1-(3-propan-2-yloxyphenyl)nonylhydrazine
CID 105294357
1-[3-(difluoromethoxy)phenyl]-2-methoxyethanamine
CID 112684585
(4-methoxy-1-pyridin-3-ylbutyl)hydrazine
CID 105196232
[1-(3,4-dimethylphenyl)-4-methoxybutyl]hydrazine
CID 105225093
1-[3-(difluoromethoxy)phenyl]-N-propylpentan-1-amine
CID 115832874
[3-(2,2-difluoroethoxy)-1-(3-propan-2-yloxyphenyl)propyl]hydrazine
CID 103151840
1-[3-(difluoromethoxy)phenyl]nonan-1-amine
CID 115835822
(1S)-1-[3-(difluoromethoxy)phenyl]pentane-1,5-diamine
CID 171225688
[4-methoxy-1-(4-methoxy-3-methylphenyl)butyl]hydrazine
CID 105258430
1-[3-(difluoromethoxy)phenyl]-N-methylpropan-1-amine
CID 114979665
1-[3-(difluoromethoxy)phenyl]propan-1-ol
CID 115787675

Frequently Asked Questions

What is the IUPAC name of [1-[3-(difluoromethoxy)phenyl]-5-methoxypentyl]hydrazine?
The IUPAC name of [1-[3-(difluoromethoxy)phenyl]-5-methoxypentyl]hydrazine (CID 112754856) is [1-[3-(difluoromethoxy)phenyl]-5-methoxypentyl]hydrazine.
What is the SMILES notation for [1-[3-(difluoromethoxy)phenyl]-5-methoxypentyl]hydrazine?
The canonical SMILES for [1-[3-(difluoromethoxy)phenyl]-5-methoxypentyl]hydrazine is COCCCCC(NN)c1cccc(OC(F)F)c1.
What is the InChIKey of [1-[3-(difluoromethoxy)phenyl]-5-methoxypentyl]hydrazine?
The InChIKey is MTAJHKSFQZYKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N2O2/c1-18-8-3-2-7-12(17-16)10-5-4-6-11(9-10)19-13(14)15/h4-6,9,12-13,17H,2-3,7-8,16H2,1H3.
What are the key properties of [1-[3-(difluoromethoxy)phenyl]-5-methoxypentyl]hydrazine?
[1-[3-(difluoromethoxy)phenyl]-5-methoxypentyl]hydrazine has a molecular weight of 274.31 g/mol, XLogP of 2.61, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(difluoromethoxy)phenyl]-5-methoxypentyl]hydrazine is sourced from PubChem (CID 112754856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).