N-(2-fluoro-5-nitrophenyl)-1-thiophen-2-ylmethanimine

C11H7FN2O2S — CID 681316

IUPACN-(2-fluoro-5-nitrophenyl)-1-thiophen-2-ylmethanimine
SMILESO=[N+]([O-])c1ccc(F)c(/N=C/c2cccs2)c1
InChIInChI=1S/C11H7FN2O2S/c12-10-4-3-8(14(15)16)6-11(10)13-7-9-2-1-5-17-9/h1-7H/b13-7+
InChIKeyOKAJPZPOWWDYPO-NTUHNPAUSA-N
MW250.25 g/mol
LogP3.55
Rot. Bonds3

About N-(2-fluoro-5-nitrophenyl)-1-thiophen-2-ylmethanimine

N-(2-fluoro-5-nitrophenyl)-1-thiophen-2-ylmethanimine (PubChem CID 681316) has the molecular formula C11H7FN2O2S and a molecular weight of 250.25 g/mol. Its IUPAC name is N-(2-fluoro-5-nitrophenyl)-1-thiophen-2-ylmethanimine.

Molecular Properties

Compound NameN-(2-fluoro-5-nitrophenyl)-1-thiophen-2-ylmethanimine
PubChem CID681316
Molecular FormulaC11H7FN2O2S
Molecular Weight250.25 g/mol
Exact Mass250.02
IUPAC NameN-(2-fluoro-5-nitrophenyl)-1-thiophen-2-ylmethanimine
SMILESO=[N+]([O-])c1ccc(F)c(/N=C/c2cccs2)c1
InChIInChI=1S/C11H7FN2O2S/c12-10-4-3-8(14(15)16)6-11(10)13-7-9-2-1-5-17-9/h1-7H/b13-7+
InChIKeyOKAJPZPOWWDYPO-NTUHNPAUSA-N
XLogP3.55
TPSA55.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-nitrophenyl)-1-thiophen-2-ylmethanimine?
The IUPAC name of N-(2-fluoro-5-nitrophenyl)-1-thiophen-2-ylmethanimine (CID 681316) is N-(2-fluoro-5-nitrophenyl)-1-thiophen-2-ylmethanimine.
What is the SMILES notation for N-(2-fluoro-5-nitrophenyl)-1-thiophen-2-ylmethanimine?
The canonical SMILES for N-(2-fluoro-5-nitrophenyl)-1-thiophen-2-ylmethanimine is O=[N+]([O-])c1ccc(F)c(/N=C/c2cccs2)c1.
What is the InChIKey of N-(2-fluoro-5-nitrophenyl)-1-thiophen-2-ylmethanimine?
The InChIKey is OKAJPZPOWWDYPO-NTUHNPAUSA-N. The full InChI is InChI=1S/C11H7FN2O2S/c12-10-4-3-8(14(15)16)6-11(10)13-7-9-2-1-5-17-9/h1-7H/b13-7+.
What are the key properties of N-(2-fluoro-5-nitrophenyl)-1-thiophen-2-ylmethanimine?
N-(2-fluoro-5-nitrophenyl)-1-thiophen-2-ylmethanimine has a molecular weight of 250.25 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-nitrophenyl)-1-thiophen-2-ylmethanimine is sourced from PubChem (CID 681316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).