(3-chloro-4-fluorophenyl)methylidenehydrazine

C7H6ClFN2 — CID 168528915

IUPAC(3-chloro-4-fluorophenyl)methylidenehydrazine
SMILESNN=Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C7H6ClFN2/c8-6-3-5(4-11-10)1-2-7(6)9/h1-4H,10H2
InChIKeyJBXGFDRJWCOVHZ-UHFFFAOYSA-N
MW172.59 g/mol
LogP1.77
Rot. Bonds1

About (3-chloro-4-fluorophenyl)methylidenehydrazine

(3-chloro-4-fluorophenyl)methylidenehydrazine (PubChem CID 168528915) has the molecular formula C7H6ClFN2 and a molecular weight of 172.59 g/mol. Its IUPAC name is (3-chloro-4-fluorophenyl)methylidenehydrazine.

Molecular Properties

Compound Name(3-chloro-4-fluorophenyl)methylidenehydrazine
PubChem CID168528915
Molecular FormulaC7H6ClFN2
Molecular Weight172.59 g/mol
Exact Mass172.02
IUPAC Name(3-chloro-4-fluorophenyl)methylidenehydrazine
SMILESNN=Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C7H6ClFN2/c8-6-3-5(4-11-10)1-2-7(6)9/h1-4H,10H2
InChIKeyJBXGFDRJWCOVHZ-UHFFFAOYSA-N
XLogP1.77
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.59
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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 (3-chloro-4-fluorophenyl)methylidenehydrazine?
The IUPAC name of (3-chloro-4-fluorophenyl)methylidenehydrazine (CID 168528915) is (3-chloro-4-fluorophenyl)methylidenehydrazine.
What is the SMILES notation for (3-chloro-4-fluorophenyl)methylidenehydrazine?
The canonical SMILES for (3-chloro-4-fluorophenyl)methylidenehydrazine is NN=Cc1ccc(F)c(Cl)c1.
What is the InChIKey of (3-chloro-4-fluorophenyl)methylidenehydrazine?
The InChIKey is JBXGFDRJWCOVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClFN2/c8-6-3-5(4-11-10)1-2-7(6)9/h1-4H,10H2.
What are the key properties of (3-chloro-4-fluorophenyl)methylidenehydrazine?
(3-chloro-4-fluorophenyl)methylidenehydrazine has a molecular weight of 172.59 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-fluorophenyl)methylidenehydrazine is sourced from PubChem (CID 168528915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).