2-azido-1,3-difluoro-5-methylbenzene

C7H5F2N3 — CID 151145909

IUPAC2-azido-1,3-difluoro-5-methylbenzene
SMILESCc1cc(F)c(N=[N+]=[N-])c(F)c1
InChIInChI=1S/C7H5F2N3/c1-4-2-5(8)7(11-12-10)6(9)3-4/h2-3H,1H3
InChIKeyMXESFISZNPPXOY-UHFFFAOYSA-N
MW169.13 g/mol
LogP3.22
Rot. Bonds1

About 2-azido-1,3-difluoro-5-methylbenzene

2-azido-1,3-difluoro-5-methylbenzene (PubChem CID 151145909) has the molecular formula C7H5F2N3 and a molecular weight of 169.13 g/mol. Its IUPAC name is 2-azido-1,3-difluoro-5-methylbenzene.

Molecular Properties

Compound Name2-azido-1,3-difluoro-5-methylbenzene
PubChem CID151145909
Molecular FormulaC7H5F2N3
Molecular Weight169.13 g/mol
Exact Mass169.05
IUPAC Name2-azido-1,3-difluoro-5-methylbenzene
SMILESCc1cc(F)c(N=[N+]=[N-])c(F)c1
InChIInChI=1S/C7H5F2N3/c1-4-2-5(8)7(11-12-10)6(9)3-4/h2-3H,1H3
InChIKeyMXESFISZNPPXOY-UHFFFAOYSA-N
XLogP3.22
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.13
LogP ≤ 53.22
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': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-azido-1,3-difluoro-5-methylbenzene?
The IUPAC name of 2-azido-1,3-difluoro-5-methylbenzene (CID 151145909) is 2-azido-1,3-difluoro-5-methylbenzene.
What is the SMILES notation for 2-azido-1,3-difluoro-5-methylbenzene?
The canonical SMILES for 2-azido-1,3-difluoro-5-methylbenzene is Cc1cc(F)c(N=[N+]=[N-])c(F)c1.
What is the InChIKey of 2-azido-1,3-difluoro-5-methylbenzene?
The InChIKey is MXESFISZNPPXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F2N3/c1-4-2-5(8)7(11-12-10)6(9)3-4/h2-3H,1H3.
What are the key properties of 2-azido-1,3-difluoro-5-methylbenzene?
2-azido-1,3-difluoro-5-methylbenzene has a molecular weight of 169.13 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-1,3-difluoro-5-methylbenzene is sourced from PubChem (CID 151145909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).