[4-(2,2-difluoroethoxy)-1-(2-methoxyphenyl)butan-2-yl]hydrazine

C13H20F2N2O2 — CID 103151796

IUPAC[4-(2,2-difluoroethoxy)-1-(2-methoxyphenyl)butan-2-yl]hydrazine
SMILESCOc1ccccc1CC(CCOCC(F)F)NN
InChIInChI=1S/C13H20F2N2O2/c1-18-12-5-3-2-4-10(12)8-11(17-16)6-7-19-9-13(14)15/h2-5,11,13,17H,6-9,16H2,1H3
InChIKeyQFNFKJXYQZCAFE-UHFFFAOYSA-N
MW274.31 g/mol
LogP1.74
Rot. Bonds9

About [4-(2,2-difluoroethoxy)-1-(2-methoxyphenyl)butan-2-yl]hydrazine

[4-(2,2-difluoroethoxy)-1-(2-methoxyphenyl)butan-2-yl]hydrazine (PubChem CID 103151796) has the molecular formula C13H20F2N2O2 and a molecular weight of 274.31 g/mol. Its IUPAC name is [4-(2,2-difluoroethoxy)-1-(2-methoxyphenyl)butan-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(2,2-difluoroethoxy)-1-(2-methoxyphenyl)butan-2-yl]hydrazine
PubChem CID103151796
Molecular FormulaC13H20F2N2O2
Molecular Weight274.31 g/mol
Exact Mass274.15
IUPAC Name[4-(2,2-difluoroethoxy)-1-(2-methoxyphenyl)butan-2-yl]hydrazine
SMILESCOc1ccccc1CC(CCOCC(F)F)NN
InChIInChI=1S/C13H20F2N2O2/c1-18-12-5-3-2-4-10(12)8-11(17-16)6-7-19-9-13(14)15/h2-5,11,13,17H,6-9,16H2,1H3
InChIKeyQFNFKJXYQZCAFE-UHFFFAOYSA-N
XLogP1.74
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 ≤ 51.74
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

4-(2,2-difluoroethoxy)-1-(2-methoxyphenyl)-N-propylbutan-2-amine
CID 103150052
[4-(2,2-difluoroethoxy)-1-(2-methoxy-5-methylphenyl)butan-2-yl]hydrazine
CID 103151784
[4-(2,2-difluoroethoxy)-1-(2,5-difluorophenyl)butan-2-yl]hydrazine
CID 103151792
[1-(2-methoxyphenyl)-5,5-dimethylhexan-2-yl]hydrazine
CID 105205034
[1-(2-methoxyphenyl)-6,6-dimethylheptan-2-yl]hydrazine
CID 114211443
[1-(2-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]hydrazine
CID 105289511
[4-ethyl-1-(2-methoxyphenyl)hexan-2-yl]hydrazine
CID 105205098
[1-(2,6-dichlorophenyl)-4-(2,2-difluoroethoxy)butan-2-yl]hydrazine
CID 103152068
[1-(3,5-difluorophenyl)-3-(2-methoxyphenyl)propan-2-yl]hydrazine
CID 105206803
[1-(2-methoxyphenyl)-5-methylsulfonylpentan-2-yl]hydrazine
CID 105204960
[1-(2-methoxyphenyl)-4-methylheptan-2-yl]hydrazine
CID 105205005
[1-(2-chloro-5-fluorophenyl)-3-(2-methoxyphenyl)propan-2-yl]hydrazine
CID 102623265

Frequently Asked Questions

What is the IUPAC name of [4-(2,2-difluoroethoxy)-1-(2-methoxyphenyl)butan-2-yl]hydrazine?
The IUPAC name of [4-(2,2-difluoroethoxy)-1-(2-methoxyphenyl)butan-2-yl]hydrazine (CID 103151796) is [4-(2,2-difluoroethoxy)-1-(2-methoxyphenyl)butan-2-yl]hydrazine.
What is the SMILES notation for [4-(2,2-difluoroethoxy)-1-(2-methoxyphenyl)butan-2-yl]hydrazine?
The canonical SMILES for [4-(2,2-difluoroethoxy)-1-(2-methoxyphenyl)butan-2-yl]hydrazine is COc1ccccc1CC(CCOCC(F)F)NN.
What is the InChIKey of [4-(2,2-difluoroethoxy)-1-(2-methoxyphenyl)butan-2-yl]hydrazine?
The InChIKey is QFNFKJXYQZCAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N2O2/c1-18-12-5-3-2-4-10(12)8-11(17-16)6-7-19-9-13(14)15/h2-5,11,13,17H,6-9,16H2,1H3.
What are the key properties of [4-(2,2-difluoroethoxy)-1-(2-methoxyphenyl)butan-2-yl]hydrazine?
[4-(2,2-difluoroethoxy)-1-(2-methoxyphenyl)butan-2-yl]hydrazine has a molecular weight of 274.31 g/mol, XLogP of 1.74, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,2-difluoroethoxy)-1-(2-methoxyphenyl)butan-2-yl]hydrazine is sourced from PubChem (CID 103151796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).