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

C13H20F2N2 — CID 107516632

IUPAC[1-(2,3-difluoro-4-methylphenyl)-3-methylpentyl]hydrazine
SMILESCCC(C)CC(NN)c1ccc(C)c(F)c1F
InChIInChI=1S/C13H20F2N2/c1-4-8(2)7-11(17-16)10-6-5-9(3)12(14)13(10)15/h5-6,8,11,17H,4,7,16H2,1-3H3
InChIKeyPIRDDBMOXWSWBR-UHFFFAOYSA-N
MW242.31 g/mol
LogP3.21
Rot. Bonds5

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

[1-(2,3-difluoro-4-methylphenyl)-3-methylpentyl]hydrazine (PubChem CID 107516632) has the molecular formula C13H20F2N2 and a molecular weight of 242.31 g/mol. Its IUPAC name is [1-(2,3-difluoro-4-methylphenyl)-3-methylpentyl]hydrazine.

Molecular Properties

Compound Name[1-(2,3-difluoro-4-methylphenyl)-3-methylpentyl]hydrazine
PubChem CID107516632
Molecular FormulaC13H20F2N2
Molecular Weight242.31 g/mol
Exact Mass242.16
IUPAC Name[1-(2,3-difluoro-4-methylphenyl)-3-methylpentyl]hydrazine
SMILESCCC(C)CC(NN)c1ccc(C)c(F)c1F
InChIInChI=1S/C13H20F2N2/c1-4-8(2)7-11(17-16)10-6-5-9(3)12(14)13(10)15/h5-6,8,11,17H,4,7,16H2,1-3H3
InChIKeyPIRDDBMOXWSWBR-UHFFFAOYSA-N
XLogP3.21
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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

1-(2,3-difluoro-4-methylphenyl)propylhydrazine
CID 107516321
[1-(2,3-difluoro-4-methylphenyl)-4-methoxy-3-methylbutyl]hydrazine
CID 107516740
[1-(5-chloro-2-methylphenyl)-3-methylpentyl]hydrazine
CID 105298675
[1-(2,3-difluoro-4-methylphenyl)-2-pyridin-4-ylethyl]hydrazine
CID 107516356
[1-(2,3-difluoro-4-methylphenyl)-3-phenylpropyl]hydrazine
CID 107516336
[1-(2,3-difluoro-4-methylphenyl)-3-(4-methylphenyl)propyl]hydrazine
CID 107516737
[2-(cyclohexen-1-yl)-1-(2,3-difluoro-4-methylphenyl)ethyl]hydrazine
CID 107516515
[1-(2,3-difluoro-4-methylphenyl)-2,2-dimethylbutyl]hydrazine
CID 107516698
[2-(2-bromophenyl)sulfanyl-1-(2,3-difluoro-4-methylphenyl)ethyl]hydrazine
CID 107516429
1-(2,3-difluoro-4-methylphenyl)-N-ethylethanamine
CID 107513182
[1-(2,3-difluoro-4-methylphenyl)-2-ethoxy-3-methylbutyl]hydrazine
CID 107516521
[1-(2-chloro-6-fluorophenyl)-3-methylpentyl]hydrazine
CID 105298437

Frequently Asked Questions

What is the IUPAC name of [1-(2,3-difluoro-4-methylphenyl)-3-methylpentyl]hydrazine?
The IUPAC name of [1-(2,3-difluoro-4-methylphenyl)-3-methylpentyl]hydrazine (CID 107516632) is [1-(2,3-difluoro-4-methylphenyl)-3-methylpentyl]hydrazine.
What is the SMILES notation for [1-(2,3-difluoro-4-methylphenyl)-3-methylpentyl]hydrazine?
The canonical SMILES for [1-(2,3-difluoro-4-methylphenyl)-3-methylpentyl]hydrazine is CCC(C)CC(NN)c1ccc(C)c(F)c1F.
What is the InChIKey of [1-(2,3-difluoro-4-methylphenyl)-3-methylpentyl]hydrazine?
The InChIKey is PIRDDBMOXWSWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N2/c1-4-8(2)7-11(17-16)10-6-5-9(3)12(14)13(10)15/h5-6,8,11,17H,4,7,16H2,1-3H3.
What are the key properties of [1-(2,3-difluoro-4-methylphenyl)-3-methylpentyl]hydrazine?
[1-(2,3-difluoro-4-methylphenyl)-3-methylpentyl]hydrazine has a molecular weight of 242.31 g/mol, XLogP of 3.21, 5 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)-3-methylpentyl]hydrazine is sourced from PubChem (CID 107516632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).