4-fluoro-5-formyl-N,N-dimethylthiophene-2-carboxamide

C8H8FNO2S — CID 118095770

IUPAC4-fluoro-5-formyl-N,N-dimethylthiophene-2-carboxamide
SMILESCN(C)C(=O)c1cc(F)c(C=O)s1
InChIInChI=1S/C8H8FNO2S/c1-10(2)8(12)6-3-5(9)7(4-11)13-6/h3-4H,1-2H3
InChIKeyOVBQLPVXWHMRSQ-UHFFFAOYSA-N
MW201.22 g/mol
LogP1.40
Rot. Bonds2

About 4-fluoro-5-formyl-N,N-dimethylthiophene-2-carboxamide

4-fluoro-5-formyl-N,N-dimethylthiophene-2-carboxamide (PubChem CID 118095770) has the molecular formula C8H8FNO2S and a molecular weight of 201.22 g/mol. Its IUPAC name is 4-fluoro-5-formyl-N,N-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-5-formyl-N,N-dimethylthiophene-2-carboxamide
PubChem CID118095770
Molecular FormulaC8H8FNO2S
Molecular Weight201.22 g/mol
Exact Mass201.03
IUPAC Name4-fluoro-5-formyl-N,N-dimethylthiophene-2-carboxamide
SMILESCN(C)C(=O)c1cc(F)c(C=O)s1
InChIInChI=1S/C8H8FNO2S/c1-10(2)8(12)6-3-5(9)7(4-11)13-6/h3-4H,1-2H3
InChIKeyOVBQLPVXWHMRSQ-UHFFFAOYSA-N
XLogP1.40
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-formyl-N,N-dimethylthiophene-2-carboxamide?
The IUPAC name of 4-fluoro-5-formyl-N,N-dimethylthiophene-2-carboxamide (CID 118095770) is 4-fluoro-5-formyl-N,N-dimethylthiophene-2-carboxamide.
What is the SMILES notation for 4-fluoro-5-formyl-N,N-dimethylthiophene-2-carboxamide?
The canonical SMILES for 4-fluoro-5-formyl-N,N-dimethylthiophene-2-carboxamide is CN(C)C(=O)c1cc(F)c(C=O)s1.
What is the InChIKey of 4-fluoro-5-formyl-N,N-dimethylthiophene-2-carboxamide?
The InChIKey is OVBQLPVXWHMRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FNO2S/c1-10(2)8(12)6-3-5(9)7(4-11)13-6/h3-4H,1-2H3.
What are the key properties of 4-fluoro-5-formyl-N,N-dimethylthiophene-2-carboxamide?
4-fluoro-5-formyl-N,N-dimethylthiophene-2-carboxamide has a molecular weight of 201.22 g/mol, XLogP of 1.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-formyl-N,N-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 118095770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).