1-(3,4-difluorophenyl)heptan-2-ylhydrazine

C13H20F2N2 — CID 105294767

IUPAC1-(3,4-difluorophenyl)heptan-2-ylhydrazine
SMILESCCCCCC(Cc1ccc(F)c(F)c1)NN
InChIInChI=1S/C13H20F2N2/c1-2-3-4-5-11(17-16)8-10-6-7-12(14)13(15)9-10/h6-7,9,11,17H,2-5,8,16H2,1H3
InChIKeyAXZCJJVPEWVNDH-UHFFFAOYSA-N
MW242.31 g/mol
LogP2.92
Rot. Bonds7

About 1-(3,4-difluorophenyl)heptan-2-ylhydrazine

1-(3,4-difluorophenyl)heptan-2-ylhydrazine (PubChem CID 105294767) has the molecular formula C13H20F2N2 and a molecular weight of 242.31 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)heptan-2-ylhydrazine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)heptan-2-ylhydrazine
PubChem CID105294767
Molecular FormulaC13H20F2N2
Molecular Weight242.31 g/mol
Exact Mass242.16
IUPAC Name1-(3,4-difluorophenyl)heptan-2-ylhydrazine
SMILESCCCCCC(Cc1ccc(F)c(F)c1)NN
InChIInChI=1S/C13H20F2N2/c1-2-3-4-5-11(17-16)8-10-6-7-12(14)13(15)9-10/h6-7,9,11,17H,2-5,8,16H2,1H3
InChIKeyAXZCJJVPEWVNDH-UHFFFAOYSA-N
XLogP2.92
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 52.92
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'}

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Related Compounds

1-(3,4-difluorophenyl)octan-2-ylhydrazine
CID 105294121
1-(3-chloro-4-fluorophenyl)heptan-2-ylhydrazine
CID 103044391
1-(3,4-difluorophenyl)-N-ethyloctan-2-amine
CID 114753007
[1-(3,4-difluorophenyl)-4-ethyloctan-2-yl]hydrazine
CID 105288434
1-(3-fluorophenyl)nonan-2-ylhydrazine
CID 105204716
[1-(3,4-difluorophenyl)-4-methoxybutan-2-yl]hydrazine
CID 105206458
[1-(3,4-difluorophenyl)-4-methylsulfanylbutan-2-yl]hydrazine
CID 105330380
1-(3,4-dichlorophenyl)heptan-2-ylhydrazine
CID 105210910
1-(5-chloro-2-fluorophenyl)octan-2-ylhydrazine
CID 103053822
[1-(3,4-difluorophenyl)-5-methoxyhexan-2-yl]hydrazine
CID 105330394
1-(5-chloro-2-fluorophenyl)decan-2-ylhydrazine
CID 103053761
[1-(3,4-difluorophenyl)-3-(5-ethylthiophen-2-yl)propan-2-yl]hydrazine
CID 105296513

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)heptan-2-ylhydrazine?
The IUPAC name of 1-(3,4-difluorophenyl)heptan-2-ylhydrazine (CID 105294767) is 1-(3,4-difluorophenyl)heptan-2-ylhydrazine.
What is the SMILES notation for 1-(3,4-difluorophenyl)heptan-2-ylhydrazine?
The canonical SMILES for 1-(3,4-difluorophenyl)heptan-2-ylhydrazine is CCCCCC(Cc1ccc(F)c(F)c1)NN.
What is the InChIKey of 1-(3,4-difluorophenyl)heptan-2-ylhydrazine?
The InChIKey is AXZCJJVPEWVNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N2/c1-2-3-4-5-11(17-16)8-10-6-7-12(14)13(15)9-10/h6-7,9,11,17H,2-5,8,16H2,1H3.
What are the key properties of 1-(3,4-difluorophenyl)heptan-2-ylhydrazine?
1-(3,4-difluorophenyl)heptan-2-ylhydrazine has a molecular weight of 242.31 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)heptan-2-ylhydrazine is sourced from PubChem (CID 105294767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).