1-(2,4-difluoro-5-methylphenyl)hex-5-ynylhydrazine

C13H16F2N2 — CID 105333477

IUPAC1-(2,4-difluoro-5-methylphenyl)hex-5-ynylhydrazine
SMILESC#CCCCC(NN)c1cc(C)c(F)cc1F
InChIInChI=1S/C13H16F2N2/c1-3-4-5-6-13(17-16)10-7-9(2)11(14)8-12(10)15/h1,7-8,13,17H,4-6,16H2,2H3
InChIKeyZCYYMBSONWHRHF-UHFFFAOYSA-N
MW238.28 g/mol
LogP2.58
Rot. Bonds5

About 1-(2,4-difluoro-5-methylphenyl)hex-5-ynylhydrazine

1-(2,4-difluoro-5-methylphenyl)hex-5-ynylhydrazine (PubChem CID 105333477) has the molecular formula C13H16F2N2 and a molecular weight of 238.28 g/mol. Its IUPAC name is 1-(2,4-difluoro-5-methylphenyl)hex-5-ynylhydrazine.

Molecular Properties

Compound Name1-(2,4-difluoro-5-methylphenyl)hex-5-ynylhydrazine
PubChem CID105333477
Molecular FormulaC13H16F2N2
Molecular Weight238.28 g/mol
Exact Mass238.13
IUPAC Name1-(2,4-difluoro-5-methylphenyl)hex-5-ynylhydrazine
SMILESC#CCCCC(NN)c1cc(C)c(F)cc1F
InChIInChI=1S/C13H16F2N2/c1-3-4-5-6-13(17-16)10-7-9(2)11(14)8-12(10)15/h1,7-8,13,17H,4-6,16H2,2H3
InChIKeyZCYYMBSONWHRHF-UHFFFAOYSA-N
XLogP2.58
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,4-difluoro-5-methylphenyl)pentylhydrazine
CID 105293823
[1-(2,4-difluoro-5-methylphenyl)-5,5,5-trifluoropentyl]hydrazine
CID 105329005
[1-(2,4-difluoro-5-methylphenyl)-3-phenylpropyl]hydrazine
CID 105285916
[1-(2,4-difluoro-5-methylphenyl)-2-(2,6-dimethylphenyl)ethyl]hydrazine
CID 105329197
1-(5-chloro-2-methylphenyl)pent-4-ynylhydrazine
CID 105308015
1-(2,5-dibromophenyl)hex-5-ynylhydrazine
CID 105333449
1-(3,5-dimethyl-2-pyridinyl)hex-5-ynylhydrazine
CID 105266423
[1-(2,4-difluoro-5-methylphenyl)-2-(3,4-dimethylphenyl)ethyl]hydrazine
CID 105290044
1-(2-methoxyphenyl)hex-5-ynylhydrazine
CID 105191170
1-(2,4-difluoro-5-methylphenyl)-N-methyloctan-1-amine
CID 79724313
1-(5-chloro-2-fluorophenyl)-N-propylhex-5-yn-1-amine
CID 114886581
1-(3-bromo-5-methylphenyl)hex-5-ynylhydrazine
CID 105333345

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluoro-5-methylphenyl)hex-5-ynylhydrazine?
The IUPAC name of 1-(2,4-difluoro-5-methylphenyl)hex-5-ynylhydrazine (CID 105333477) is 1-(2,4-difluoro-5-methylphenyl)hex-5-ynylhydrazine.
What is the SMILES notation for 1-(2,4-difluoro-5-methylphenyl)hex-5-ynylhydrazine?
The canonical SMILES for 1-(2,4-difluoro-5-methylphenyl)hex-5-ynylhydrazine is C#CCCCC(NN)c1cc(C)c(F)cc1F.
What is the InChIKey of 1-(2,4-difluoro-5-methylphenyl)hex-5-ynylhydrazine?
The InChIKey is ZCYYMBSONWHRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2/c1-3-4-5-6-13(17-16)10-7-9(2)11(14)8-12(10)15/h1,7-8,13,17H,4-6,16H2,2H3.
What are the key properties of 1-(2,4-difluoro-5-methylphenyl)hex-5-ynylhydrazine?
1-(2,4-difluoro-5-methylphenyl)hex-5-ynylhydrazine has a molecular weight of 238.28 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluoro-5-methylphenyl)hex-5-ynylhydrazine is sourced from PubChem (CID 105333477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).