5-amino-4-(trifluoromethyl)thiophene-3-carbaldehyde

C6H4F3NOS — CID 82375563

IUPAC5-amino-4-(trifluoromethyl)thiophene-3-carbaldehyde
SMILESNc1scc(C=O)c1C(F)(F)F
InChIInChI=1S/C6H4F3NOS/c7-6(8,9)4-3(1-11)2-12-5(4)10/h1-2H,10H2
InChIKeyWFFYJCVNUIRUBZ-UHFFFAOYSA-N
MW195.17 g/mol
LogP2.16
Rot. Bonds1

About 5-amino-4-(trifluoromethyl)thiophene-3-carbaldehyde

5-amino-4-(trifluoromethyl)thiophene-3-carbaldehyde (PubChem CID 82375563) has the molecular formula C6H4F3NOS and a molecular weight of 195.17 g/mol. Its IUPAC name is 5-amino-4-(trifluoromethyl)thiophene-3-carbaldehyde.

Molecular Properties

Compound Name5-amino-4-(trifluoromethyl)thiophene-3-carbaldehyde
PubChem CID82375563
Molecular FormulaC6H4F3NOS
Molecular Weight195.17 g/mol
Exact Mass195.00
IUPAC Name5-amino-4-(trifluoromethyl)thiophene-3-carbaldehyde
SMILESNc1scc(C=O)c1C(F)(F)F
InChIInChI=1S/C6H4F3NOS/c7-6(8,9)4-3(1-11)2-12-5(4)10/h1-2H,10H2
InChIKeyWFFYJCVNUIRUBZ-UHFFFAOYSA-N
XLogP2.16
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.17
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-(trifluoromethyl)benzaldehyde
CID 86701174
4-amino-5-sulfanyl-1-benzothiophene-3-carbaldehyde
CID 130985281
5-amino-2-fluoro-4-(trifluoromethyl)benzaldehyde
CID 131075471
5-aminothieno[2,3-b]thiophene-3-carbaldehyde
CID 133057843
2-bromo-3,4-bis(trifluoromethyl)benzaldehyde
CID 134638660
4-amino-2-fluoro-5-(trifluoromethyl)benzaldehyde
CID 118846166
3-formyl-2,5-bis(trifluoromethyl)benzamide
CID 134638769
4-amino-2-(trifluoromethyl)benzaldehyde;1-methylpyrrolidine
CID 164558917
4-amino-3-(trifluoromethyl)pyridine-2-carbaldehyde
CID 118812170
2-amino-5-chloro-4-(trifluoromethyl)benzaldehyde
CID 119009707
4,5-dimethylthiophene-3-carbaldehyde
CID 14335813
thiophene-2,3,4-tricarbaldehyde
CID 130024628

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(trifluoromethyl)thiophene-3-carbaldehyde?
The IUPAC name of 5-amino-4-(trifluoromethyl)thiophene-3-carbaldehyde (CID 82375563) is 5-amino-4-(trifluoromethyl)thiophene-3-carbaldehyde.
What is the SMILES notation for 5-amino-4-(trifluoromethyl)thiophene-3-carbaldehyde?
The canonical SMILES for 5-amino-4-(trifluoromethyl)thiophene-3-carbaldehyde is Nc1scc(C=O)c1C(F)(F)F.
What is the InChIKey of 5-amino-4-(trifluoromethyl)thiophene-3-carbaldehyde?
The InChIKey is WFFYJCVNUIRUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3NOS/c7-6(8,9)4-3(1-11)2-12-5(4)10/h1-2H,10H2.
What are the key properties of 5-amino-4-(trifluoromethyl)thiophene-3-carbaldehyde?
5-amino-4-(trifluoromethyl)thiophene-3-carbaldehyde has a molecular weight of 195.17 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(trifluoromethyl)thiophene-3-carbaldehyde is sourced from PubChem (CID 82375563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).