[1-(3,4-diethoxyphenyl)-2,2-difluoroethyl]hydrazine

C12H18F2N2O2 — CID 105265233

IUPAC[1-(3,4-diethoxyphenyl)-2,2-difluoroethyl]hydrazine
SMILESCCOc1ccc(C(NN)C(F)F)cc1OCC
InChIInChI=1S/C12H18F2N2O2/c1-3-17-9-6-5-8(7-10(9)18-4-2)11(16-15)12(13)14/h5-7,11-12,16H,3-4,15H2,1-2H3
InChIKeyTVMWTWKZQKJMDA-UHFFFAOYSA-N
MW260.28 g/mol
LogP2.25
Rot. Bonds7

About [1-(3,4-diethoxyphenyl)-2,2-difluoroethyl]hydrazine

[1-(3,4-diethoxyphenyl)-2,2-difluoroethyl]hydrazine (PubChem CID 105265233) has the molecular formula C12H18F2N2O2 and a molecular weight of 260.28 g/mol. Its IUPAC name is [1-(3,4-diethoxyphenyl)-2,2-difluoroethyl]hydrazine.

Molecular Properties

Compound Name[1-(3,4-diethoxyphenyl)-2,2-difluoroethyl]hydrazine
PubChem CID105265233
Molecular FormulaC12H18F2N2O2
Molecular Weight260.28 g/mol
Exact Mass260.13
IUPAC Name[1-(3,4-diethoxyphenyl)-2,2-difluoroethyl]hydrazine
SMILESCCOc1ccc(C(NN)C(F)F)cc1OCC
InChIInChI=1S/C12H18F2N2O2/c1-3-17-9-6-5-8(7-10(9)18-4-2)11(16-15)12(13)14/h5-7,11-12,16H,3-4,15H2,1-2H3
InChIKeyTVMWTWKZQKJMDA-UHFFFAOYSA-N
XLogP2.25
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(1-bromo-2,2-difluoroethyl)-1,2-diethoxybenzene
CID 103514497
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CID 105315456
[1-(3,4-diethoxyphenyl)-3-methylbutyl]hydrazine
CID 105199088
[4-chloro-1-(3,4-diethoxyphenyl)butyl]hydrazine
CID 105235772
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1-(3,4-diethoxyphenyl)-2-methoxybutan-1-amine
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methyl 2-(3,4-diethoxyphenyl)propanoate
CID 55071930
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]methanesulfonamide
CID 51263519
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CID 43483715
1-(3,4-diethoxyphenyl)-2-ethoxy-N-ethylpropan-1-amine
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CID 82758130

Frequently Asked Questions

What is the IUPAC name of [1-(3,4-diethoxyphenyl)-2,2-difluoroethyl]hydrazine?
The IUPAC name of [1-(3,4-diethoxyphenyl)-2,2-difluoroethyl]hydrazine (CID 105265233) is [1-(3,4-diethoxyphenyl)-2,2-difluoroethyl]hydrazine.
What is the SMILES notation for [1-(3,4-diethoxyphenyl)-2,2-difluoroethyl]hydrazine?
The canonical SMILES for [1-(3,4-diethoxyphenyl)-2,2-difluoroethyl]hydrazine is CCOc1ccc(C(NN)C(F)F)cc1OCC.
What is the InChIKey of [1-(3,4-diethoxyphenyl)-2,2-difluoroethyl]hydrazine?
The InChIKey is TVMWTWKZQKJMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2O2/c1-3-17-9-6-5-8(7-10(9)18-4-2)11(16-15)12(13)14/h5-7,11-12,16H,3-4,15H2,1-2H3.
What are the key properties of [1-(3,4-diethoxyphenyl)-2,2-difluoroethyl]hydrazine?
[1-(3,4-diethoxyphenyl)-2,2-difluoroethyl]hydrazine has a molecular weight of 260.28 g/mol, XLogP of 2.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-diethoxyphenyl)-2,2-difluoroethyl]hydrazine is sourced from PubChem (CID 105265233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).