[azido(difluoro)methyl]benzene

C7H5F2N3 — CID 640464

IUPAC[azido(difluoro)methyl]benzene
SMILES[N-]=[N+]=NC(F)(F)c1ccccc1
InChIInChI=1S/C7H5F2N3/c8-7(9,11-12-10)6-4-2-1-3-5-6/h1-5H
InChIKeyVNFUAQVUHARBBN-UHFFFAOYSA-N
MW169.13 g/mol
LogP3.05
Rot. Bonds2

About [azido(difluoro)methyl]benzene

[azido(difluoro)methyl]benzene (PubChem CID 640464) has the molecular formula C7H5F2N3 and a molecular weight of 169.13 g/mol. Its IUPAC name is [azido(difluoro)methyl]benzene.

Molecular Properties

Compound Name[azido(difluoro)methyl]benzene
PubChem CID640464
Molecular FormulaC7H5F2N3
Molecular Weight169.13 g/mol
Exact Mass169.05
IUPAC Name[azido(difluoro)methyl]benzene
SMILES[N-]=[N+]=NC(F)(F)c1ccccc1
InChIInChI=1S/C7H5F2N3/c8-7(9,11-12-10)6-4-2-1-3-5-6/h1-5H
InChIKeyVNFUAQVUHARBBN-UHFFFAOYSA-N
XLogP3.05
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.13
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

CID 12152
CID 12152
CID 123563
CID 123563
CID 123572
CID 123572
CID 123589
CID 123589
CID 2733244
CID 2733244
CID 11205864
CID 11205864
CID 168292498
CID 168292498
CID 11401632
CID 11401632
CID 59667498
CID 59667498
CID 59667529
CID 59667529
CID 101480597
CID 101480597
CID 2758260
CID 2758260

Frequently Asked Questions

What is the IUPAC name of [azido(difluoro)methyl]benzene?
The IUPAC name of [azido(difluoro)methyl]benzene (CID 640464) is [azido(difluoro)methyl]benzene.
What is the SMILES notation for [azido(difluoro)methyl]benzene?
The canonical SMILES for [azido(difluoro)methyl]benzene is [N-]=[N+]=NC(F)(F)c1ccccc1.
What is the InChIKey of [azido(difluoro)methyl]benzene?
The InChIKey is VNFUAQVUHARBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F2N3/c8-7(9,11-12-10)6-4-2-1-3-5-6/h1-5H.
What are the key properties of [azido(difluoro)methyl]benzene?
[azido(difluoro)methyl]benzene has a molecular weight of 169.13 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [azido(difluoro)methyl]benzene is sourced from PubChem (CID 640464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).