2,6-difluoro-4-hydrazinylbenzaldehyde

C7H6F2N2O — CID 91195669

IUPAC2,6-difluoro-4-hydrazinylbenzaldehyde
SMILESNNc1cc(F)c(C=O)c(F)c1
InChIInChI=1S/C7H6F2N2O/c8-6-1-4(11-10)2-7(9)5(6)3-12/h1-3,11H,10H2
InChIKeySYCIGFAQXKUYJV-UHFFFAOYSA-N
MW172.13 g/mol
LogP1.06
Rot. Bonds2

About 2,6-difluoro-4-hydrazinylbenzaldehyde

2,6-difluoro-4-hydrazinylbenzaldehyde (PubChem CID 91195669) has the molecular formula C7H6F2N2O and a molecular weight of 172.13 g/mol. Its IUPAC name is 2,6-difluoro-4-hydrazinylbenzaldehyde.

Molecular Properties

Compound Name2,6-difluoro-4-hydrazinylbenzaldehyde
PubChem CID91195669
Molecular FormulaC7H6F2N2O
Molecular Weight172.13 g/mol
Exact Mass172.04
IUPAC Name2,6-difluoro-4-hydrazinylbenzaldehyde
SMILESNNc1cc(F)c(C=O)c(F)c1
InChIInChI=1S/C7H6F2N2O/c8-6-1-4(11-10)2-7(9)5(6)3-12/h1-3,11H,10H2
InChIKeySYCIGFAQXKUYJV-UHFFFAOYSA-N
XLogP1.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.13
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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 2,6-difluoro-4-hydrazinylbenzaldehyde?
The IUPAC name of 2,6-difluoro-4-hydrazinylbenzaldehyde (CID 91195669) is 2,6-difluoro-4-hydrazinylbenzaldehyde.
What is the SMILES notation for 2,6-difluoro-4-hydrazinylbenzaldehyde?
The canonical SMILES for 2,6-difluoro-4-hydrazinylbenzaldehyde is NNc1cc(F)c(C=O)c(F)c1.
What is the InChIKey of 2,6-difluoro-4-hydrazinylbenzaldehyde?
The InChIKey is SYCIGFAQXKUYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2N2O/c8-6-1-4(11-10)2-7(9)5(6)3-12/h1-3,11H,10H2.
What are the key properties of 2,6-difluoro-4-hydrazinylbenzaldehyde?
2,6-difluoro-4-hydrazinylbenzaldehyde has a molecular weight of 172.13 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-hydrazinylbenzaldehyde is sourced from PubChem (CID 91195669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).