[1-(2,4-difluorophenyl)-4-methoxy-4-methylpentyl]hydrazine

C13H20F2N2O — CID 103026559

IUPAC[1-(2,4-difluorophenyl)-4-methoxy-4-methylpentyl]hydrazine
SMILESCOC(C)(C)CCC(NN)c1ccc(F)cc1F
InChIInChI=1S/C13H20F2N2O/c1-13(2,18-3)7-6-12(17-16)10-5-4-9(14)8-11(10)15/h4-5,8,12,17H,6-7,16H2,1-3H3
InChIKeyMHJOUWJVEJBCAJ-UHFFFAOYSA-N
MW258.31 g/mol
LogP2.67
Rot. Bonds6

About [1-(2,4-difluorophenyl)-4-methoxy-4-methylpentyl]hydrazine

[1-(2,4-difluorophenyl)-4-methoxy-4-methylpentyl]hydrazine (PubChem CID 103026559) has the molecular formula C13H20F2N2O and a molecular weight of 258.31 g/mol. Its IUPAC name is [1-(2,4-difluorophenyl)-4-methoxy-4-methylpentyl]hydrazine.

Molecular Properties

Compound Name[1-(2,4-difluorophenyl)-4-methoxy-4-methylpentyl]hydrazine
PubChem CID103026559
Molecular FormulaC13H20F2N2O
Molecular Weight258.31 g/mol
Exact Mass258.15
IUPAC Name[1-(2,4-difluorophenyl)-4-methoxy-4-methylpentyl]hydrazine
SMILESCOC(C)(C)CCC(NN)c1ccc(F)cc1F
InChIInChI=1S/C13H20F2N2O/c1-13(2,18-3)7-6-12(17-16)10-5-4-9(14)8-11(10)15/h4-5,8,12,17H,6-7,16H2,1-3H3
InChIKeyMHJOUWJVEJBCAJ-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-(5-fluoro-2-methylphenyl)-4-methoxy-4-methylpentyl]hydrazine
CID 103026629
[1-(3,4-difluorophenyl)-4-methoxy-4-methylpentyl]hydrazine
CID 103026429
1-(4-chloro-2-fluorophenyl)-4-methoxy-N,4-dimethylpentan-1-amine
CID 103031675
[1-[4-bromo-2-(trifluoromethyl)phenyl]-4-methoxy-4-methylpentyl]hydrazine
CID 103026706
1-(2,4-difluorophenyl)hex-4-ynylhydrazine
CID 105216646
[1-(2,4-difluorophenyl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine
CID 103151492
3-(2,4-difluorophenyl)-N,N-diethyl-3-hydrazinylpropan-1-amine
CID 105244099
[1-(5-fluoro-2-methoxyphenyl)-3-methoxy-3-methylbutyl]hydrazine
CID 103025453
2,4-difluoro-N-(3-methoxy-3-methylbutyl)aniline
CID 102975547
2-(2,4-difluorophenyl)-2-hydrazinyl-N,N-dimethylethanamine
CID 105244787
N-[1-(2,4-difluorophenyl)ethyl]-2-methoxy-2-methylpropan-1-amine
CID 113245730
[1-(3,4-dimethylphenyl)-4-methoxy-4-methylpentyl]hydrazine
CID 103026337

Frequently Asked Questions

What is the IUPAC name of [1-(2,4-difluorophenyl)-4-methoxy-4-methylpentyl]hydrazine?
The IUPAC name of [1-(2,4-difluorophenyl)-4-methoxy-4-methylpentyl]hydrazine (CID 103026559) is [1-(2,4-difluorophenyl)-4-methoxy-4-methylpentyl]hydrazine.
What is the SMILES notation for [1-(2,4-difluorophenyl)-4-methoxy-4-methylpentyl]hydrazine?
The canonical SMILES for [1-(2,4-difluorophenyl)-4-methoxy-4-methylpentyl]hydrazine is COC(C)(C)CCC(NN)c1ccc(F)cc1F.
What is the InChIKey of [1-(2,4-difluorophenyl)-4-methoxy-4-methylpentyl]hydrazine?
The InChIKey is MHJOUWJVEJBCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N2O/c1-13(2,18-3)7-6-12(17-16)10-5-4-9(14)8-11(10)15/h4-5,8,12,17H,6-7,16H2,1-3H3.
What are the key properties of [1-(2,4-difluorophenyl)-4-methoxy-4-methylpentyl]hydrazine?
[1-(2,4-difluorophenyl)-4-methoxy-4-methylpentyl]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-(2,4-difluorophenyl)-4-methoxy-4-methylpentyl]hydrazine is sourced from PubChem (CID 103026559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).