3-fluoro-N-methoxy-N-methylthiophene-2-carboxamide

C7H8FNO2S — CID 89095283

IUPAC3-fluoro-N-methoxy-N-methylthiophene-2-carboxamide
SMILESCON(C)C(=O)c1sccc1F
InChIInChI=1S/C7H8FNO2S/c1-9(11-2)7(10)6-5(8)3-4-12-6/h3-4H,1-2H3
InChIKeyIFCBPPXJYJIANC-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.52
Rot. Bonds2

About 3-fluoro-N-methoxy-N-methylthiophene-2-carboxamide

3-fluoro-N-methoxy-N-methylthiophene-2-carboxamide (PubChem CID 89095283) has the molecular formula C7H8FNO2S and a molecular weight of 189.21 g/mol. Its IUPAC name is 3-fluoro-N-methoxy-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-methoxy-N-methylthiophene-2-carboxamide
PubChem CID89095283
Molecular FormulaC7H8FNO2S
Molecular Weight189.21 g/mol
Exact Mass189.03
IUPAC Name3-fluoro-N-methoxy-N-methylthiophene-2-carboxamide
SMILESCON(C)C(=O)c1sccc1F
InChIInChI=1S/C7H8FNO2S/c1-9(11-2)7(10)6-5(8)3-4-12-6/h3-4H,1-2H3
InChIKeyIFCBPPXJYJIANC-UHFFFAOYSA-N
XLogP1.52
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-methoxy-N-methylthiophene-2-carboxamide?
The IUPAC name of 3-fluoro-N-methoxy-N-methylthiophene-2-carboxamide (CID 89095283) is 3-fluoro-N-methoxy-N-methylthiophene-2-carboxamide.
What is the SMILES notation for 3-fluoro-N-methoxy-N-methylthiophene-2-carboxamide?
The canonical SMILES for 3-fluoro-N-methoxy-N-methylthiophene-2-carboxamide is CON(C)C(=O)c1sccc1F.
What is the InChIKey of 3-fluoro-N-methoxy-N-methylthiophene-2-carboxamide?
The InChIKey is IFCBPPXJYJIANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNO2S/c1-9(11-2)7(10)6-5(8)3-4-12-6/h3-4H,1-2H3.
What are the key properties of 3-fluoro-N-methoxy-N-methylthiophene-2-carboxamide?
3-fluoro-N-methoxy-N-methylthiophene-2-carboxamide has a molecular weight of 189.21 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-methoxy-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 89095283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).