1-(2,3-difluorophenyl)hept-6-yn-2-ylhydrazine

C13H16F2N2 — CID 105333380

IUPAC1-(2,3-difluorophenyl)hept-6-yn-2-ylhydrazine
SMILESC#CCCCC(Cc1cccc(F)c1F)NN
InChIInChI=1S/C13H16F2N2/c1-2-3-4-7-11(17-16)9-10-6-5-8-12(14)13(10)15/h1,5-6,8,11,17H,3-4,7,9,16H2
InChIKeyUKUYEXUCAHRLGB-UHFFFAOYSA-N
MW238.28 g/mol
LogP2.14
Rot. Bonds6

About 1-(2,3-difluorophenyl)hept-6-yn-2-ylhydrazine

1-(2,3-difluorophenyl)hept-6-yn-2-ylhydrazine (PubChem CID 105333380) has the molecular formula C13H16F2N2 and a molecular weight of 238.28 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)hept-6-yn-2-ylhydrazine.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)hept-6-yn-2-ylhydrazine
PubChem CID105333380
Molecular FormulaC13H16F2N2
Molecular Weight238.28 g/mol
Exact Mass238.13
IUPAC Name1-(2,3-difluorophenyl)hept-6-yn-2-ylhydrazine
SMILESC#CCCCC(Cc1cccc(F)c1F)NN
InChIInChI=1S/C13H16F2N2/c1-2-3-4-7-11(17-16)9-10-6-5-8-12(14)13(10)15/h1,5-6,8,11,17H,3-4,7,9,16H2
InChIKeyUKUYEXUCAHRLGB-UHFFFAOYSA-N
XLogP2.14
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 52.14
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-(2,6-difluorophenyl)hept-6-yn-2-ylhydrazine
CID 105333318
4-(2,3-difluorophenyl)-3-hydrazinyl-N,N-dimethylbutan-1-amine
CID 105259354
[1-(2,6-dichlorophenyl)-3-(2,3-difluorophenyl)propan-2-yl]hydrazine
CID 105209834
4-(2,3-difluorophenyl)-N,N-diethyl-3-hydrazinylbutan-1-amine
CID 105244189
1-(2-fluorophenyl)hexan-2-ylhydrazine
CID 105206821
3-(2,3-difluorophenyl)-2-hydrazinyl-N,N-dimethylpropan-1-amine
CID 105244886
[1-(2,3-difluorophenyl)-4-(3-methylphenyl)butan-2-yl]hydrazine
CID 105298035
1-(2,6-difluorophenyl)-N-methylhept-6-yn-2-amine
CID 105033816
[1-(2,3-difluorophenyl)-4-methylheptan-2-yl]hydrazine
CID 105298128
[1-(4-chloro-2-fluorophenyl)-3-(2,3-difluorophenyl)propan-2-yl]hydrazine
CID 105342687
1-(2-bromophenyl)hex-5-yn-2-ylhydrazine
CID 105214924
1-(2,3-difluorophenyl)-N-methylhept-5-yn-2-amine
CID 105037105

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)hept-6-yn-2-ylhydrazine?
The IUPAC name of 1-(2,3-difluorophenyl)hept-6-yn-2-ylhydrazine (CID 105333380) is 1-(2,3-difluorophenyl)hept-6-yn-2-ylhydrazine.
What is the SMILES notation for 1-(2,3-difluorophenyl)hept-6-yn-2-ylhydrazine?
The canonical SMILES for 1-(2,3-difluorophenyl)hept-6-yn-2-ylhydrazine is C#CCCCC(Cc1cccc(F)c1F)NN.
What is the InChIKey of 1-(2,3-difluorophenyl)hept-6-yn-2-ylhydrazine?
The InChIKey is UKUYEXUCAHRLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2/c1-2-3-4-7-11(17-16)9-10-6-5-8-12(14)13(10)15/h1,5-6,8,11,17H,3-4,7,9,16H2.
What are the key properties of 1-(2,3-difluorophenyl)hept-6-yn-2-ylhydrazine?
1-(2,3-difluorophenyl)hept-6-yn-2-ylhydrazine has a molecular weight of 238.28 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)hept-6-yn-2-ylhydrazine is sourced from PubChem (CID 105333380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).