1-[2-(difluoromethoxy)phenyl]hexylhydrazine

C13H20F2N2O — CID 105294561

IUPAC1-[2-(difluoromethoxy)phenyl]hexylhydrazine
SMILESCCCCCC(NN)c1ccccc1OC(F)F
InChIInChI=1S/C13H20F2N2O/c1-2-3-4-8-11(17-16)10-7-5-6-9-12(10)18-13(14)15/h5-7,9,11,13,17H,2-4,8,16H2,1H3
InChIKeyQXQOWGUMGPGFHZ-UHFFFAOYSA-N
MW258.31 g/mol
LogP3.37
Rot. Bonds8

About 1-[2-(difluoromethoxy)phenyl]hexylhydrazine

1-[2-(difluoromethoxy)phenyl]hexylhydrazine (PubChem CID 105294561) has the molecular formula C13H20F2N2O and a molecular weight of 258.31 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)phenyl]hexylhydrazine.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)phenyl]hexylhydrazine
PubChem CID105294561
Molecular FormulaC13H20F2N2O
Molecular Weight258.31 g/mol
Exact Mass258.15
IUPAC Name1-[2-(difluoromethoxy)phenyl]hexylhydrazine
SMILESCCCCCC(NN)c1ccccc1OC(F)F
InChIInChI=1S/C13H20F2N2O/c1-2-3-4-8-11(17-16)10-7-5-6-9-12(10)18-13(14)15/h5-7,9,11,13,17H,2-4,8,16H2,1H3
InChIKeyQXQOWGUMGPGFHZ-UHFFFAOYSA-N
XLogP3.37
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 53.37
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-[2-(difluoromethoxy)phenyl]-N-ethylhexan-1-amine
CID 115837696
1-[2-(difluoromethoxy)phenyl]-N-propylhexan-1-amine
CID 115837596
1-(2-propoxyphenyl)octylhydrazine
CID 105334374
1-(2-fluorophenyl)dodecylhydrazine
CID 105292285
(1R)-1-[2-(difluoromethoxy)phenyl]pentan-1-amine;hydrochloride
CID 171211366
[4-methoxy-1-(2-propan-2-yloxyphenyl)butyl]hydrazine
CID 105225070
1-[2-(difluoromethoxy)phenyl]pent-3-ynylhydrazine
CID 105290570
2-(1-hydrazinylheptyl)phenol
CID 155127911
1-(2,3-difluorophenyl)hexylhydrazine
CID 105294688
1-[2-(difluoromethoxy)phenyl]-N-ethylethane-1,2-diamine
CID 62066384
1-(2-tert-butylphenyl)hexylhydrazine
CID 105294636
1-(2-methoxyphenyl)-N-methylhexan-1-amine
CID 62608289

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)phenyl]hexylhydrazine?
The IUPAC name of 1-[2-(difluoromethoxy)phenyl]hexylhydrazine (CID 105294561) is 1-[2-(difluoromethoxy)phenyl]hexylhydrazine.
What is the SMILES notation for 1-[2-(difluoromethoxy)phenyl]hexylhydrazine?
The canonical SMILES for 1-[2-(difluoromethoxy)phenyl]hexylhydrazine is CCCCCC(NN)c1ccccc1OC(F)F.
What is the InChIKey of 1-[2-(difluoromethoxy)phenyl]hexylhydrazine?
The InChIKey is QXQOWGUMGPGFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N2O/c1-2-3-4-8-11(17-16)10-7-5-6-9-12(10)18-13(14)15/h5-7,9,11,13,17H,2-4,8,16H2,1H3.
What are the key properties of 1-[2-(difluoromethoxy)phenyl]hexylhydrazine?
1-[2-(difluoromethoxy)phenyl]hexylhydrazine has a molecular weight of 258.31 g/mol, XLogP of 3.37, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)phenyl]hexylhydrazine is sourced from PubChem (CID 105294561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).