1-azido-2,3,4,5-tetrafluoro-6-nitrobenzene

C6F4N4O2 — CID 151071541

IUPAC1-azido-2,3,4,5-tetrafluoro-6-nitrobenzene
SMILES[N-]=[N+]=Nc1c(F)c(F)c(F)c(F)c1[N+](=O)[O-]
InChIInChI=1S/C6F4N4O2/c7-1-2(8)4(10)6(14(15)16)5(3(1)9)12-13-11
InChIKeyMIFVMOAPSGRPJM-UHFFFAOYSA-N
MW236.08 g/mol
LogP3.09
Rot. Bonds2

About 1-azido-2,3,4,5-tetrafluoro-6-nitrobenzene

1-azido-2,3,4,5-tetrafluoro-6-nitrobenzene (PubChem CID 151071541) has the molecular formula C6F4N4O2 and a molecular weight of 236.08 g/mol. Its IUPAC name is 1-azido-2,3,4,5-tetrafluoro-6-nitrobenzene.

Molecular Properties

Compound Name1-azido-2,3,4,5-tetrafluoro-6-nitrobenzene
PubChem CID151071541
Molecular FormulaC6F4N4O2
Molecular Weight236.08 g/mol
Exact Mass236.00
IUPAC Name1-azido-2,3,4,5-tetrafluoro-6-nitrobenzene
SMILES[N-]=[N+]=Nc1c(F)c(F)c(F)c(F)c1[N+](=O)[O-]
InChIInChI=1S/C6F4N4O2/c7-1-2(8)4(10)6(14(15)16)5(3(1)9)12-13-11
InChIKeyMIFVMOAPSGRPJM-UHFFFAOYSA-N
XLogP3.09
TPSA91.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.08
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-azido-2,3,5-trifluoro-6-nitrobenzoic acid
CID 14642576
methyl 4-azido-2,3,5-trifluoro-6-nitrobenzoate
CID 14642573
1-azido-2,3,4,5,6,7,8-heptafluoronaphthalene
CID 91069544
2-azido-3,4,5,6-tetrafluorobenzaldehyde
CID 54024165
2-azido-1,5-dibromo-3-methyl-4-nitrobenzene
CID 169325406
2-azido-3-nitrobenzoic acid
CID 136655529
1-chloro-2,3,4,5-tetrafluoro-6-nitrobenzene
CID 23234795
1-(4-azido-2,3,5,6-tetrafluorophenyl)-2-bromoethanone
CID 14642570
3-azido-N,N-dimethyl-2,6-dinitro-4-(trifluoromethyl)aniline
CID 12895354
1,2,4,5-tetrafluoro-3-iodo-6-nitrobenzene
CID 23234800
1-ethoxy-2,3,4,5-tetrafluoro-6-nitrobenzene
CID 91872104
4-azido-2-fluoro-1-nitrobenzene
CID 15088119

Frequently Asked Questions

What is the IUPAC name of 1-azido-2,3,4,5-tetrafluoro-6-nitrobenzene?
The IUPAC name of 1-azido-2,3,4,5-tetrafluoro-6-nitrobenzene (CID 151071541) is 1-azido-2,3,4,5-tetrafluoro-6-nitrobenzene.
What is the SMILES notation for 1-azido-2,3,4,5-tetrafluoro-6-nitrobenzene?
The canonical SMILES for 1-azido-2,3,4,5-tetrafluoro-6-nitrobenzene is [N-]=[N+]=Nc1c(F)c(F)c(F)c(F)c1[N+](=O)[O-].
What is the InChIKey of 1-azido-2,3,4,5-tetrafluoro-6-nitrobenzene?
The InChIKey is MIFVMOAPSGRPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6F4N4O2/c7-1-2(8)4(10)6(14(15)16)5(3(1)9)12-13-11.
What are the key properties of 1-azido-2,3,4,5-tetrafluoro-6-nitrobenzene?
1-azido-2,3,4,5-tetrafluoro-6-nitrobenzene has a molecular weight of 236.08 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azido-2,3,4,5-tetrafluoro-6-nitrobenzene is sourced from PubChem (CID 151071541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).