5-[[(E)-(2-fluorophenyl)methylideneamino]oxymethyl]thiophene-2-carboxylic acid

C13H10FNO3S — CID 21082358

IUPAC5-[[(E)-(2-fluorophenyl)methylideneamino]oxymethyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(CO/N=C/c2ccccc2F)s1
InChIInChI=1S/C13H10FNO3S/c14-11-4-2-1-3-9(11)7-15-18-8-10-5-6-12(19-10)13(16)17/h1-7H,8H2,(H,16,17)/b15-7+
InChIKeyOGUYDRYWJCCBTM-VIZOYTHASA-N
MW279.29 g/mol
LogP3.14
Rot. Bonds5

About 5-[[(E)-(2-fluorophenyl)methylideneamino]oxymethyl]thiophene-2-carboxylic acid

5-[[(E)-(2-fluorophenyl)methylideneamino]oxymethyl]thiophene-2-carboxylic acid (PubChem CID 21082358) has the molecular formula C13H10FNO3S and a molecular weight of 279.29 g/mol. Its IUPAC name is 5-[[(E)-(2-fluorophenyl)methylideneamino]oxymethyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(E)-(2-fluorophenyl)methylideneamino]oxymethyl]thiophene-2-carboxylic acid
PubChem CID21082358
Molecular FormulaC13H10FNO3S
Molecular Weight279.29 g/mol
Exact Mass279.04
IUPAC Name5-[[(E)-(2-fluorophenyl)methylideneamino]oxymethyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(CO/N=C/c2ccccc2F)s1
InChIInChI=1S/C13H10FNO3S/c14-11-4-2-1-3-9(11)7-15-18-8-10-5-6-12(19-10)13(16)17/h1-7H,8H2,(H,16,17)/b15-7+
InChIKeyOGUYDRYWJCCBTM-VIZOYTHASA-N
XLogP3.14
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 5-[[(E)-(2-fluorophenyl)methylideneamino]oxymethyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[[(E)-(2-fluorophenyl)methylideneamino]oxymethyl]thiophene-2-carboxylic acid (CID 21082358) is 5-[[(E)-(2-fluorophenyl)methylideneamino]oxymethyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[[(E)-(2-fluorophenyl)methylideneamino]oxymethyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[[(E)-(2-fluorophenyl)methylideneamino]oxymethyl]thiophene-2-carboxylic acid is O=C(O)c1ccc(CO/N=C/c2ccccc2F)s1.
What is the InChIKey of 5-[[(E)-(2-fluorophenyl)methylideneamino]oxymethyl]thiophene-2-carboxylic acid?
The InChIKey is OGUYDRYWJCCBTM-VIZOYTHASA-N. The full InChI is InChI=1S/C13H10FNO3S/c14-11-4-2-1-3-9(11)7-15-18-8-10-5-6-12(19-10)13(16)17/h1-7H,8H2,(H,16,17)/b15-7+.
What are the key properties of 5-[[(E)-(2-fluorophenyl)methylideneamino]oxymethyl]thiophene-2-carboxylic acid?
5-[[(E)-(2-fluorophenyl)methylideneamino]oxymethyl]thiophene-2-carboxylic acid has a molecular weight of 279.29 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(E)-(2-fluorophenyl)methylideneamino]oxymethyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 21082358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).