N,N-diethyl-4-fluoro-5-formylthiophene-2-carboxamide

C10H12FNO2S — CID 118097112

IUPACN,N-diethyl-4-fluoro-5-formylthiophene-2-carboxamide
SMILESCCN(CC)C(=O)c1cc(F)c(C=O)s1
InChIInChI=1S/C10H12FNO2S/c1-3-12(4-2)10(14)8-5-7(11)9(6-13)15-8/h5-6H,3-4H2,1-2H3
InChIKeyRVBALGAZVAUZTG-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.18
Rot. Bonds4

About N,N-diethyl-4-fluoro-5-formylthiophene-2-carboxamide

N,N-diethyl-4-fluoro-5-formylthiophene-2-carboxamide (PubChem CID 118097112) has the molecular formula C10H12FNO2S and a molecular weight of 229.28 g/mol. Its IUPAC name is N,N-diethyl-4-fluoro-5-formylthiophene-2-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-4-fluoro-5-formylthiophene-2-carboxamide
PubChem CID118097112
Molecular FormulaC10H12FNO2S
Molecular Weight229.28 g/mol
Exact Mass229.06
IUPAC NameN,N-diethyl-4-fluoro-5-formylthiophene-2-carboxamide
SMILESCCN(CC)C(=O)c1cc(F)c(C=O)s1
InChIInChI=1S/C10H12FNO2S/c1-3-12(4-2)10(14)8-5-7(11)9(6-13)15-8/h5-6H,3-4H2,1-2H3
InChIKeyRVBALGAZVAUZTG-UHFFFAOYSA-N
XLogP2.18
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.18
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 N,N-diethyl-4-fluoro-5-formylthiophene-2-carboxamide?
The IUPAC name of N,N-diethyl-4-fluoro-5-formylthiophene-2-carboxamide (CID 118097112) is N,N-diethyl-4-fluoro-5-formylthiophene-2-carboxamide.
What is the SMILES notation for N,N-diethyl-4-fluoro-5-formylthiophene-2-carboxamide?
The canonical SMILES for N,N-diethyl-4-fluoro-5-formylthiophene-2-carboxamide is CCN(CC)C(=O)c1cc(F)c(C=O)s1.
What is the InChIKey of N,N-diethyl-4-fluoro-5-formylthiophene-2-carboxamide?
The InChIKey is RVBALGAZVAUZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO2S/c1-3-12(4-2)10(14)8-5-7(11)9(6-13)15-8/h5-6H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-4-fluoro-5-formylthiophene-2-carboxamide?
N,N-diethyl-4-fluoro-5-formylthiophene-2-carboxamide has a molecular weight of 229.28 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-fluoro-5-formylthiophene-2-carboxamide is sourced from PubChem (CID 118097112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).