1-(3-chloro-4-fluorophenyl)heptan-2-ylhydrazine

C13H20ClFN2 — CID 103044391

IUPAC1-(3-chloro-4-fluorophenyl)heptan-2-ylhydrazine
SMILESCCCCCC(Cc1ccc(F)c(Cl)c1)NN
InChIInChI=1S/C13H20ClFN2/c1-2-3-4-5-11(17-16)8-10-6-7-13(15)12(14)9-10/h6-7,9,11,17H,2-5,8,16H2,1H3
InChIKeyZUUGZSDOMAJYBU-UHFFFAOYSA-N
MW258.77 g/mol
LogP3.43
Rot. Bonds7

About 1-(3-chloro-4-fluorophenyl)heptan-2-ylhydrazine

1-(3-chloro-4-fluorophenyl)heptan-2-ylhydrazine (PubChem CID 103044391) has the molecular formula C13H20ClFN2 and a molecular weight of 258.77 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)heptan-2-ylhydrazine.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)heptan-2-ylhydrazine
PubChem CID103044391
Molecular FormulaC13H20ClFN2
Molecular Weight258.77 g/mol
Exact Mass258.13
IUPAC Name1-(3-chloro-4-fluorophenyl)heptan-2-ylhydrazine
SMILESCCCCCC(Cc1ccc(F)c(Cl)c1)NN
InChIInChI=1S/C13H20ClFN2/c1-2-3-4-5-11(17-16)8-10-6-7-13(15)12(14)9-10/h6-7,9,11,17H,2-5,8,16H2,1H3
InChIKeyZUUGZSDOMAJYBU-UHFFFAOYSA-N
XLogP3.43
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.77
LogP ≤ 53.43
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'}

Analyze 1-(3-chloro-4-fluorophenyl)heptan-2-ylhydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,4-difluorophenyl)heptan-2-ylhydrazine
CID 105294767
1-(3,4-dichlorophenyl)heptan-2-ylhydrazine
CID 105210910
1-(3,4-difluorophenyl)octan-2-ylhydrazine
CID 105294121
1-(3-chloro-4-fluorophenyl)-N-ethylnonan-2-amine
CID 103043062
1-(5-chloro-2-fluorophenyl)octan-2-ylhydrazine
CID 103053822
1-(5-chloro-2-fluorophenyl)decan-2-ylhydrazine
CID 103053761
1-(3-chloro-4-fluorophenyl)-N-methylpentan-2-amine
CID 103039854
1-(3-fluorophenyl)nonan-2-ylhydrazine
CID 105204716
1-(2,5-dichlorophenyl)undecan-2-ylhydrazine
CID 105309812
1-(3-chloro-4-fluorophenyl)decylhydrazine
CID 105218123
1-(3-chloro-4-fluorophenyl)pentan-2-amine
CID 103039784
[1-(4-chloro-3-fluorophenyl)-5-methoxypentan-2-yl]hydrazine
CID 107895069

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)heptan-2-ylhydrazine?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)heptan-2-ylhydrazine (CID 103044391) is 1-(3-chloro-4-fluorophenyl)heptan-2-ylhydrazine.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)heptan-2-ylhydrazine?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)heptan-2-ylhydrazine is CCCCCC(Cc1ccc(F)c(Cl)c1)NN.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)heptan-2-ylhydrazine?
The InChIKey is ZUUGZSDOMAJYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClFN2/c1-2-3-4-5-11(17-16)8-10-6-7-13(15)12(14)9-10/h6-7,9,11,17H,2-5,8,16H2,1H3.
What are the key properties of 1-(3-chloro-4-fluorophenyl)heptan-2-ylhydrazine?
1-(3-chloro-4-fluorophenyl)heptan-2-ylhydrazine has a molecular weight of 258.77 g/mol, XLogP of 3.43, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)heptan-2-ylhydrazine is sourced from PubChem (CID 103044391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).