[2-(3-chloro-2-fluorophenyl)-1-(3,5-dichlorophenyl)ethyl]hydrazine

C14H12Cl3FN2 — CID 102868631

IUPAC[2-(3-chloro-2-fluorophenyl)-1-(3,5-dichlorophenyl)ethyl]hydrazine
SMILESNNC(Cc1cccc(Cl)c1F)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H12Cl3FN2/c15-10-4-9(5-11(16)7-10)13(20-19)6-8-2-1-3-12(17)14(8)18/h1-5,7,13,20H,6,19H2
InChIKeyJRTCOEQFDJXCKQ-UHFFFAOYSA-N
MW333.62 g/mol
LogP4.53
Rot. Bonds4

About [2-(3-chloro-2-fluorophenyl)-1-(3,5-dichlorophenyl)ethyl]hydrazine

[2-(3-chloro-2-fluorophenyl)-1-(3,5-dichlorophenyl)ethyl]hydrazine (PubChem CID 102868631) has the molecular formula C14H12Cl3FN2 and a molecular weight of 333.62 g/mol. Its IUPAC name is [2-(3-chloro-2-fluorophenyl)-1-(3,5-dichlorophenyl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(3-chloro-2-fluorophenyl)-1-(3,5-dichlorophenyl)ethyl]hydrazine
PubChem CID102868631
Molecular FormulaC14H12Cl3FN2
Molecular Weight333.62 g/mol
Exact Mass332.01
IUPAC Name[2-(3-chloro-2-fluorophenyl)-1-(3,5-dichlorophenyl)ethyl]hydrazine
SMILESNNC(Cc1cccc(Cl)c1F)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H12Cl3FN2/c15-10-4-9(5-11(16)7-10)13(20-19)6-8-2-1-3-12(17)14(8)18/h1-5,7,13,20H,6,19H2
InChIKeyJRTCOEQFDJXCKQ-UHFFFAOYSA-N
XLogP4.53
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.62
LogP ≤ 54.53
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'}

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Frequently Asked Questions

What is the IUPAC name of [2-(3-chloro-2-fluorophenyl)-1-(3,5-dichlorophenyl)ethyl]hydrazine?
The IUPAC name of [2-(3-chloro-2-fluorophenyl)-1-(3,5-dichlorophenyl)ethyl]hydrazine (CID 102868631) is [2-(3-chloro-2-fluorophenyl)-1-(3,5-dichlorophenyl)ethyl]hydrazine.
What is the SMILES notation for [2-(3-chloro-2-fluorophenyl)-1-(3,5-dichlorophenyl)ethyl]hydrazine?
The canonical SMILES for [2-(3-chloro-2-fluorophenyl)-1-(3,5-dichlorophenyl)ethyl]hydrazine is NNC(Cc1cccc(Cl)c1F)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of [2-(3-chloro-2-fluorophenyl)-1-(3,5-dichlorophenyl)ethyl]hydrazine?
The InChIKey is JRTCOEQFDJXCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl3FN2/c15-10-4-9(5-11(16)7-10)13(20-19)6-8-2-1-3-12(17)14(8)18/h1-5,7,13,20H,6,19H2.
What are the key properties of [2-(3-chloro-2-fluorophenyl)-1-(3,5-dichlorophenyl)ethyl]hydrazine?
[2-(3-chloro-2-fluorophenyl)-1-(3,5-dichlorophenyl)ethyl]hydrazine has a molecular weight of 333.62 g/mol, XLogP of 4.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloro-2-fluorophenyl)-1-(3,5-dichlorophenyl)ethyl]hydrazine is sourced from PubChem (CID 102868631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).