[1-(2,3-difluoro-4-methylphenyl)-2,2-dimethylbutyl]hydrazine

C13H20F2N2 — CID 107516698

IUPAC[1-(2,3-difluoro-4-methylphenyl)-2,2-dimethylbutyl]hydrazine
SMILESCCC(C)(C)C(NN)c1ccc(C)c(F)c1F
InChIInChI=1S/C13H20F2N2/c1-5-13(3,4)12(17-16)9-7-6-8(2)10(14)11(9)15/h6-7,12,17H,5,16H2,1-4H3
InChIKeyRCOYPUCSFVXWQH-UHFFFAOYSA-N
MW242.31 g/mol
LogP3.21
Rot. Bonds4

About [1-(2,3-difluoro-4-methylphenyl)-2,2-dimethylbutyl]hydrazine

[1-(2,3-difluoro-4-methylphenyl)-2,2-dimethylbutyl]hydrazine (PubChem CID 107516698) has the molecular formula C13H20F2N2 and a molecular weight of 242.31 g/mol. Its IUPAC name is [1-(2,3-difluoro-4-methylphenyl)-2,2-dimethylbutyl]hydrazine.

Molecular Properties

Compound Name[1-(2,3-difluoro-4-methylphenyl)-2,2-dimethylbutyl]hydrazine
PubChem CID107516698
Molecular FormulaC13H20F2N2
Molecular Weight242.31 g/mol
Exact Mass242.16
IUPAC Name[1-(2,3-difluoro-4-methylphenyl)-2,2-dimethylbutyl]hydrazine
SMILESCCC(C)(C)C(NN)c1ccc(C)c(F)c1F
InChIInChI=1S/C13H20F2N2/c1-5-13(3,4)12(17-16)9-7-6-8(2)10(14)11(9)15/h6-7,12,17H,5,16H2,1-4H3
InChIKeyRCOYPUCSFVXWQH-UHFFFAOYSA-N
XLogP3.21
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

[2,2-dimethyl-1-(2-methylphenyl)butyl]hydrazine
CID 105286147
[1-(2,3-dimethylphenyl)-2,2-dimethylbutyl]hydrazine
CID 105300632
1-(2,3-difluoro-4-methylphenyl)propylhydrazine
CID 107516321
1-(2,3-difluoro-4-methylphenyl)-2-N,2-N-diethyl-1-N,2-dimethylbutane-1,2-diamine
CID 107513554
[2,2-dimethyl-1-(4-methylphenyl)butyl]hydrazine
CID 105285455
[1-(5-fluoro-2-methoxyphenyl)-2,2-dimethylbutyl]hydrazine
CID 105330933
[1-(3-fluoro-5-methylphenyl)-2,2-dimethylbutyl]hydrazine
CID 105325387
1-(2,3-difluoro-4-methylphenyl)-2-methylbutane-1,2-diol
CID 107513044
[1-(2,3-difluoro-4-methylphenyl)-3-methylpentyl]hydrazine
CID 107516632
1-(2,3-difluoro-4-methylphenyl)-1-N,2-N,2-N,2-tetramethylpropane-1,2-diamine
CID 107513536
[1-(2,3-difluoro-4-methylphenyl)-2-pyridin-4-ylethyl]hydrazine
CID 107516356
[2-methoxy-2-methyl-1-(2,3,4-trifluorophenyl)propyl]hydrazine
CID 105245230

Frequently Asked Questions

What is the IUPAC name of [1-(2,3-difluoro-4-methylphenyl)-2,2-dimethylbutyl]hydrazine?
The IUPAC name of [1-(2,3-difluoro-4-methylphenyl)-2,2-dimethylbutyl]hydrazine (CID 107516698) is [1-(2,3-difluoro-4-methylphenyl)-2,2-dimethylbutyl]hydrazine.
What is the SMILES notation for [1-(2,3-difluoro-4-methylphenyl)-2,2-dimethylbutyl]hydrazine?
The canonical SMILES for [1-(2,3-difluoro-4-methylphenyl)-2,2-dimethylbutyl]hydrazine is CCC(C)(C)C(NN)c1ccc(C)c(F)c1F.
What is the InChIKey of [1-(2,3-difluoro-4-methylphenyl)-2,2-dimethylbutyl]hydrazine?
The InChIKey is RCOYPUCSFVXWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N2/c1-5-13(3,4)12(17-16)9-7-6-8(2)10(14)11(9)15/h6-7,12,17H,5,16H2,1-4H3.
What are the key properties of [1-(2,3-difluoro-4-methylphenyl)-2,2-dimethylbutyl]hydrazine?
[1-(2,3-difluoro-4-methylphenyl)-2,2-dimethylbutyl]hydrazine has a molecular weight of 242.31 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3-difluoro-4-methylphenyl)-2,2-dimethylbutyl]hydrazine is sourced from PubChem (CID 107516698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).