1-(2,4-difluorophenyl)hex-4-ynylhydrazine

C12H14F2N2 — CID 105216646

IUPAC1-(2,4-difluorophenyl)hex-4-ynylhydrazine
SMILESCC#CCCC(NN)c1ccc(F)cc1F
InChIInChI=1S/C12H14F2N2/c1-2-3-4-5-12(16-15)10-7-6-9(13)8-11(10)14/h6-8,12,16H,4-5,15H2,1H3
InChIKeyBKWWMIGWVLYCFB-UHFFFAOYSA-N
MW224.25 g/mol
LogP2.27
Rot. Bonds4

About 1-(2,4-difluorophenyl)hex-4-ynylhydrazine

1-(2,4-difluorophenyl)hex-4-ynylhydrazine (PubChem CID 105216646) has the molecular formula C12H14F2N2 and a molecular weight of 224.25 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)hex-4-ynylhydrazine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)hex-4-ynylhydrazine
PubChem CID105216646
Molecular FormulaC12H14F2N2
Molecular Weight224.25 g/mol
Exact Mass224.11
IUPAC Name1-(2,4-difluorophenyl)hex-4-ynylhydrazine
SMILESCC#CCCC(NN)c1ccc(F)cc1F
InChIInChI=1S/C12H14F2N2/c1-2-3-4-5-12(16-15)10-7-6-9(13)8-11(10)14/h6-8,12,16H,4-5,15H2,1H3
InChIKeyBKWWMIGWVLYCFB-UHFFFAOYSA-N
XLogP2.27
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 52.27
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-(2,4-difluorophenyl)-N,N-diethyl-3-hydrazinylpropan-1-amine
CID 105244099
2-(2,4-difluorophenyl)-2-hydrazinyl-N,N-dimethylethanamine
CID 105244787
[1-(2,4-difluorophenyl)-4-methoxy-4-methylpentyl]hydrazine
CID 103026559
1-(2,5-difluorophenyl)hex-4-yn-1-amine
CID 104805650
1-(2-methoxyphenyl)hex-4-ynylhydrazine
CID 105191206
[1-(2,4-difluorophenyl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine
CID 103151492
1-(2-ethoxyphenyl)hex-4-ynylhydrazine
CID 105260784
1-(2-bromo-5-methylphenyl)hex-4-ynylhydrazine
CID 105335090
1-(2-fluoro-4-methylphenyl)hex-4-yn-1-amine
CID 105037331
[1-(2,4-difluorophenyl)-2-(4-methylphenyl)sulfanylethyl]hydrazine
CID 105236949
1-(2-methyl-3-pyridinyl)hex-4-ynylhydrazine
CID 105334994
4-(1-hydrazinylhex-4-ynyl)-N,N-dimethylaniline
CID 105334896

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)hex-4-ynylhydrazine?
The IUPAC name of 1-(2,4-difluorophenyl)hex-4-ynylhydrazine (CID 105216646) is 1-(2,4-difluorophenyl)hex-4-ynylhydrazine.
What is the SMILES notation for 1-(2,4-difluorophenyl)hex-4-ynylhydrazine?
The canonical SMILES for 1-(2,4-difluorophenyl)hex-4-ynylhydrazine is CC#CCCC(NN)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)hex-4-ynylhydrazine?
The InChIKey is BKWWMIGWVLYCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2/c1-2-3-4-5-12(16-15)10-7-6-9(13)8-11(10)14/h6-8,12,16H,4-5,15H2,1H3.
What are the key properties of 1-(2,4-difluorophenyl)hex-4-ynylhydrazine?
1-(2,4-difluorophenyl)hex-4-ynylhydrazine has a molecular weight of 224.25 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)hex-4-ynylhydrazine is sourced from PubChem (CID 105216646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).