(4-fluoro-2-nitrophenyl) selenocyanate

C7H3FN2O2Se — CID 140870766

IUPAC(4-fluoro-2-nitrophenyl) selenocyanate
SMILESN#C[Se]c1ccc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C7H3FN2O2Se/c8-5-1-2-7(13-4-9)6(3-5)10(11)12/h1-3H
InChIKeyMZNPFUKQTFIPCA-UHFFFAOYSA-N
MW245.07 g/mol
LogP0.54
Rot. Bonds2

About (4-fluoro-2-nitrophenyl) selenocyanate

(4-fluoro-2-nitrophenyl) selenocyanate (PubChem CID 140870766) has the molecular formula C7H3FN2O2Se and a molecular weight of 245.07 g/mol. Its IUPAC name is (4-fluoro-2-nitrophenyl) selenocyanate.

Molecular Properties

Compound Name(4-fluoro-2-nitrophenyl) selenocyanate
PubChem CID140870766
Molecular FormulaC7H3FN2O2Se
Molecular Weight245.07 g/mol
Exact Mass245.93
IUPAC Name(4-fluoro-2-nitrophenyl) selenocyanate
SMILESN#C[Se]c1ccc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C7H3FN2O2Se/c8-5-1-2-7(13-4-9)6(3-5)10(11)12/h1-3H
InChIKeyMZNPFUKQTFIPCA-UHFFFAOYSA-N
XLogP0.54
TPSA66.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.07
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-2-nitrobenzenediazonium
CID 10352853
4-fluoro-1-[(4-fluoro-2-nitrophenyl)disulfanyl]-2-nitrobenzene
CID 13238249
(4-methyl-2-nitrophenyl)selanyl selenocyanate
CID 131861346
1,2,3,4,5-pentafluoro-6-(4-fluoro-2-nitrophenyl)benzene
CID 118826390
2-(4-fluoro-2,6-dinitrophenyl)acetonitrile
CID 53399258
2,4-difluoro-6-nitrobenzonitrile
CID 119017167
2-cyano-3-(4-fluoro-2-nitrophenyl)prop-2-enamide
CID 54446537
(Z)-2-cyano-3-(4-fluoro-2-nitrophenyl)prop-2-enamide
CID 70608073
3-(4-fluoro-2-nitrophenyl)prop-2-yne-1-thiol
CID 169486968
sodium 4-fluoro-2-nitrobenzenesulfinate
CID 114287111
5-fluoro-2-(2-nitrophenoxy)benzonitrile
CID 63668372
N-(1-cyanoethyl)-4-fluoro-2-nitrobenzenesulfonamide
CID 61124834

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-2-nitrophenyl) selenocyanate?
The IUPAC name of (4-fluoro-2-nitrophenyl) selenocyanate (CID 140870766) is (4-fluoro-2-nitrophenyl) selenocyanate.
What is the SMILES notation for (4-fluoro-2-nitrophenyl) selenocyanate?
The canonical SMILES for (4-fluoro-2-nitrophenyl) selenocyanate is N#C[Se]c1ccc(F)cc1[N+](=O)[O-].
What is the InChIKey of (4-fluoro-2-nitrophenyl) selenocyanate?
The InChIKey is MZNPFUKQTFIPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3FN2O2Se/c8-5-1-2-7(13-4-9)6(3-5)10(11)12/h1-3H.
What are the key properties of (4-fluoro-2-nitrophenyl) selenocyanate?
(4-fluoro-2-nitrophenyl) selenocyanate has a molecular weight of 245.07 g/mol, XLogP of 0.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-2-nitrophenyl) selenocyanate is sourced from PubChem (CID 140870766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).