[4-chloro-2-(difluoromethoxy)phenyl]methylidenehydrazine

C8H7ClF2N2O — CID 168529149

IUPAC[4-chloro-2-(difluoromethoxy)phenyl]methylidenehydrazine
SMILESNN=Cc1ccc(Cl)cc1OC(F)F
InChIInChI=1S/C8H7ClF2N2O/c9-6-2-1-5(4-13-12)7(3-6)14-8(10)11/h1-4,8H,12H2
InChIKeyWJWOJDRJUGNCFF-UHFFFAOYSA-N
MW220.61 g/mol
LogP2.23
Rot. Bonds3

About [4-chloro-2-(difluoromethoxy)phenyl]methylidenehydrazine

[4-chloro-2-(difluoromethoxy)phenyl]methylidenehydrazine (PubChem CID 168529149) has the molecular formula C8H7ClF2N2O and a molecular weight of 220.61 g/mol. Its IUPAC name is [4-chloro-2-(difluoromethoxy)phenyl]methylidenehydrazine.

Molecular Properties

Compound Name[4-chloro-2-(difluoromethoxy)phenyl]methylidenehydrazine
PubChem CID168529149
Molecular FormulaC8H7ClF2N2O
Molecular Weight220.61 g/mol
Exact Mass220.02
IUPAC Name[4-chloro-2-(difluoromethoxy)phenyl]methylidenehydrazine
SMILESNN=Cc1ccc(Cl)cc1OC(F)F
InChIInChI=1S/C8H7ClF2N2O/c9-6-2-1-5(4-13-12)7(3-6)14-8(10)11/h1-4,8H,12H2
InChIKeyWJWOJDRJUGNCFF-UHFFFAOYSA-N
XLogP2.23
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.61
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 [4-chloro-2-(difluoromethoxy)phenyl]methylidenehydrazine?
The IUPAC name of [4-chloro-2-(difluoromethoxy)phenyl]methylidenehydrazine (CID 168529149) is [4-chloro-2-(difluoromethoxy)phenyl]methylidenehydrazine.
What is the SMILES notation for [4-chloro-2-(difluoromethoxy)phenyl]methylidenehydrazine?
The canonical SMILES for [4-chloro-2-(difluoromethoxy)phenyl]methylidenehydrazine is NN=Cc1ccc(Cl)cc1OC(F)F.
What is the InChIKey of [4-chloro-2-(difluoromethoxy)phenyl]methylidenehydrazine?
The InChIKey is WJWOJDRJUGNCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF2N2O/c9-6-2-1-5(4-13-12)7(3-6)14-8(10)11/h1-4,8H,12H2.
What are the key properties of [4-chloro-2-(difluoromethoxy)phenyl]methylidenehydrazine?
[4-chloro-2-(difluoromethoxy)phenyl]methylidenehydrazine has a molecular weight of 220.61 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-(difluoromethoxy)phenyl]methylidenehydrazine is sourced from PubChem (CID 168529149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).