[1-(3,5-difluorophenyl)-2-ethyl-2-methoxybutyl]hydrazine

C13H20F2N2O — CID 105275488

IUPAC[1-(3,5-difluorophenyl)-2-ethyl-2-methoxybutyl]hydrazine
SMILESCCC(CC)(OC)C(NN)c1cc(F)cc(F)c1
InChIInChI=1S/C13H20F2N2O/c1-4-13(5-2,18-3)12(17-16)9-6-10(14)8-11(15)7-9/h6-8,12,17H,4-5,16H2,1-3H3
InChIKeyUVYUAOPNSSQQSG-UHFFFAOYSA-N
MW258.31 g/mol
LogP2.67
Rot. Bonds6

About [1-(3,5-difluorophenyl)-2-ethyl-2-methoxybutyl]hydrazine

[1-(3,5-difluorophenyl)-2-ethyl-2-methoxybutyl]hydrazine (PubChem CID 105275488) has the molecular formula C13H20F2N2O and a molecular weight of 258.31 g/mol. Its IUPAC name is [1-(3,5-difluorophenyl)-2-ethyl-2-methoxybutyl]hydrazine.

Molecular Properties

Compound Name[1-(3,5-difluorophenyl)-2-ethyl-2-methoxybutyl]hydrazine
PubChem CID105275488
Molecular FormulaC13H20F2N2O
Molecular Weight258.31 g/mol
Exact Mass258.15
IUPAC Name[1-(3,5-difluorophenyl)-2-ethyl-2-methoxybutyl]hydrazine
SMILESCCC(CC)(OC)C(NN)c1cc(F)cc(F)c1
InChIInChI=1S/C13H20F2N2O/c1-4-13(5-2,18-3)12(17-16)9-6-10(14)8-11(15)7-9/h6-8,12,17H,4-5,16H2,1-3H3
InChIKeyUVYUAOPNSSQQSG-UHFFFAOYSA-N
XLogP2.67
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

[1-(3,5-dimethylphenyl)-2-ethyl-2-methoxybutyl]hydrazine
CID 105275534
[1-(3-fluoro-5-methylphenyl)-2,2-dimethylbutyl]hydrazine
CID 105325387
[2-ethyl-2-methoxy-1-[4-(trifluoromethyl)phenyl]butyl]hydrazine
CID 105275560
1-(3,5-difluorophenyl)-N-ethyl-2-methoxy-2-methylbutan-1-amine
CID 116758076
[2-ethyl-2-methoxy-1-(4-methoxyphenyl)butyl]hydrazine
CID 105275411
[(1S)-1-(3,5-difluorophenyl)-2,2,2-trifluoroethyl]hydrazine
CID 124596401
[2-ethyl-1-(2-fluoro-4,6-dimethylphenyl)-2-methoxybutyl]hydrazine
CID 106884445
[1-(3,5-difluorophenyl)-3-methoxy-3-methylbutyl]hydrazine
CID 103025282
(2-ethyl-2-methoxy-1-quinolin-7-ylbutyl)hydrazine
CID 105275332
1-(3,5-difluorophenyl)propylhydrazine
CID 53402270
2-ethyl-1-(3-fluorophenyl)-2-methoxy-N-propylbutan-1-amine
CID 116761475
1-(3,5-difluorophenyl)-2,2-dimethyl-N-propylbutan-1-amine
CID 115851763

Frequently Asked Questions

What is the IUPAC name of [1-(3,5-difluorophenyl)-2-ethyl-2-methoxybutyl]hydrazine?
The IUPAC name of [1-(3,5-difluorophenyl)-2-ethyl-2-methoxybutyl]hydrazine (CID 105275488) is [1-(3,5-difluorophenyl)-2-ethyl-2-methoxybutyl]hydrazine.
What is the SMILES notation for [1-(3,5-difluorophenyl)-2-ethyl-2-methoxybutyl]hydrazine?
The canonical SMILES for [1-(3,5-difluorophenyl)-2-ethyl-2-methoxybutyl]hydrazine is CCC(CC)(OC)C(NN)c1cc(F)cc(F)c1.
What is the InChIKey of [1-(3,5-difluorophenyl)-2-ethyl-2-methoxybutyl]hydrazine?
The InChIKey is UVYUAOPNSSQQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N2O/c1-4-13(5-2,18-3)12(17-16)9-6-10(14)8-11(15)7-9/h6-8,12,17H,4-5,16H2,1-3H3.
What are the key properties of [1-(3,5-difluorophenyl)-2-ethyl-2-methoxybutyl]hydrazine?
[1-(3,5-difluorophenyl)-2-ethyl-2-methoxybutyl]hydrazine has a molecular weight of 258.31 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,5-difluorophenyl)-2-ethyl-2-methoxybutyl]hydrazine is sourced from PubChem (CID 105275488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).