2-azido-3,4,5,6-tetrafluorobenzaldehyde

C7HF4N3O — CID 54024165

IUPAC2-azido-3,4,5,6-tetrafluorobenzaldehyde
SMILES[N-]=[N+]=Nc1c(F)c(F)c(F)c(F)c1C=O
InChIInChI=1S/C7HF4N3O/c8-3-2(1-15)7(13-14-12)6(11)5(10)4(3)9/h1H
InChIKeyMSKBNFOGOIKVBZ-UHFFFAOYSA-N
MW219.10 g/mol
LogP3.00
Rot. Bonds2

About 2-azido-3,4,5,6-tetrafluorobenzaldehyde

2-azido-3,4,5,6-tetrafluorobenzaldehyde (PubChem CID 54024165) has the molecular formula C7HF4N3O and a molecular weight of 219.10 g/mol. Its IUPAC name is 2-azido-3,4,5,6-tetrafluorobenzaldehyde.

Molecular Properties

Compound Name2-azido-3,4,5,6-tetrafluorobenzaldehyde
PubChem CID54024165
Molecular FormulaC7HF4N3O
Molecular Weight219.10 g/mol
Exact Mass219.01
IUPAC Name2-azido-3,4,5,6-tetrafluorobenzaldehyde
SMILES[N-]=[N+]=Nc1c(F)c(F)c(F)c(F)c1C=O
InChIInChI=1S/C7HF4N3O/c8-3-2(1-15)7(13-14-12)6(11)5(10)4(3)9/h1H
InChIKeyMSKBNFOGOIKVBZ-UHFFFAOYSA-N
XLogP3.00
TPSA65.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.10
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-azido-3,4,5,6-tetrafluorobenzaldehyde?
The IUPAC name of 2-azido-3,4,5,6-tetrafluorobenzaldehyde (CID 54024165) is 2-azido-3,4,5,6-tetrafluorobenzaldehyde.
What is the SMILES notation for 2-azido-3,4,5,6-tetrafluorobenzaldehyde?
The canonical SMILES for 2-azido-3,4,5,6-tetrafluorobenzaldehyde is [N-]=[N+]=Nc1c(F)c(F)c(F)c(F)c1C=O.
What is the InChIKey of 2-azido-3,4,5,6-tetrafluorobenzaldehyde?
The InChIKey is MSKBNFOGOIKVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7HF4N3O/c8-3-2(1-15)7(13-14-12)6(11)5(10)4(3)9/h1H.
What are the key properties of 2-azido-3,4,5,6-tetrafluorobenzaldehyde?
2-azido-3,4,5,6-tetrafluorobenzaldehyde has a molecular weight of 219.10 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-3,4,5,6-tetrafluorobenzaldehyde is sourced from PubChem (CID 54024165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).