3-chloro-4-(2-fluoro-4-nitrophenoxy)-1,2,5-thiadiazole

C8H3ClFN3O3S — CID 54915723

IUPAC3-chloro-4-(2-fluoro-4-nitrophenoxy)-1,2,5-thiadiazole
SMILESO=[N+]([O-])c1ccc(Oc2nsnc2Cl)c(F)c1
InChIInChI=1S/C8H3ClFN3O3S/c9-7-8(12-17-11-7)16-6-2-1-4(13(14)15)3-5(6)10/h1-3H
InChIKeyYLLDWAGHXMOFHK-UHFFFAOYSA-N
MW275.65 g/mol
LogP3.03
Rot. Bonds3

About 3-chloro-4-(2-fluoro-4-nitrophenoxy)-1,2,5-thiadiazole

3-chloro-4-(2-fluoro-4-nitrophenoxy)-1,2,5-thiadiazole (PubChem CID 54915723) has the molecular formula C8H3ClFN3O3S and a molecular weight of 275.65 g/mol. Its IUPAC name is 3-chloro-4-(2-fluoro-4-nitrophenoxy)-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-chloro-4-(2-fluoro-4-nitrophenoxy)-1,2,5-thiadiazole
PubChem CID54915723
Molecular FormulaC8H3ClFN3O3S
Molecular Weight275.65 g/mol
Exact Mass274.96
IUPAC Name3-chloro-4-(2-fluoro-4-nitrophenoxy)-1,2,5-thiadiazole
SMILESO=[N+]([O-])c1ccc(Oc2nsnc2Cl)c(F)c1
InChIInChI=1S/C8H3ClFN3O3S/c9-7-8(12-17-11-7)16-6-2-1-4(13(14)15)3-5(6)10/h1-3H
InChIKeyYLLDWAGHXMOFHK-UHFFFAOYSA-N
XLogP3.03
TPSA78.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.65
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-chloro-4-(2,4-difluorophenoxy)-1,2,5-thiadiazole
CID 61038458
4-chloro-6-(2-fluoro-4-nitrophenoxy)-2,5-dimethylpyrimidine
CID 63734189
3-(4-bromo-2-nitrophenoxy)-4-chloro-1,2,5-thiadiazole
CID 65429782
methyl 4-chloro-2-(2-fluoro-4-nitrophenoxy)-1,3-thiazole-5-carboxylate
CID 61058240
3-chloro-4-(4-methoxy-2-nitrophenoxy)-1,2,5-thiadiazole
CID 60726071
2-(2-fluoro-4-nitrophenoxy)-1-methoxy-4-nitrobenzene
CID 154791901
2-chloro-4-(2-fluoro-4-nitrophenoxy)-1-methylbenzene
CID 154939680
1-(2-fluoro-4-nitrophenoxy)-2,4-dimethylbenzene
CID 101232592
5-chloro-4-(2-fluoro-4-nitrophenoxy)pyrrolo[2,1-f][1,2,4]triazine
CID 21081699
3-chloro-4-(2-fluoro-4-nitrophenoxy)benzaldehyde
CID 47453575
5-chloro-2-(2-fluoro-4-nitrophenoxy)benzoic acid
CID 61395827
4-(2-fluoro-4-nitrophenoxy)-6-methylpyrimidine
CID 143321178

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(2-fluoro-4-nitrophenoxy)-1,2,5-thiadiazole?
The IUPAC name of 3-chloro-4-(2-fluoro-4-nitrophenoxy)-1,2,5-thiadiazole (CID 54915723) is 3-chloro-4-(2-fluoro-4-nitrophenoxy)-1,2,5-thiadiazole.
What is the SMILES notation for 3-chloro-4-(2-fluoro-4-nitrophenoxy)-1,2,5-thiadiazole?
The canonical SMILES for 3-chloro-4-(2-fluoro-4-nitrophenoxy)-1,2,5-thiadiazole is O=[N+]([O-])c1ccc(Oc2nsnc2Cl)c(F)c1.
What is the InChIKey of 3-chloro-4-(2-fluoro-4-nitrophenoxy)-1,2,5-thiadiazole?
The InChIKey is YLLDWAGHXMOFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3ClFN3O3S/c9-7-8(12-17-11-7)16-6-2-1-4(13(14)15)3-5(6)10/h1-3H.
What are the key properties of 3-chloro-4-(2-fluoro-4-nitrophenoxy)-1,2,5-thiadiazole?
3-chloro-4-(2-fluoro-4-nitrophenoxy)-1,2,5-thiadiazole has a molecular weight of 275.65 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(2-fluoro-4-nitrophenoxy)-1,2,5-thiadiazole is sourced from PubChem (CID 54915723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).