1-(4-aminothiophen-2-yl)-2,2,2-trifluoroethanone

C6H4F3NOS — CID 82375054

IUPAC1-(4-aminothiophen-2-yl)-2,2,2-trifluoroethanone
SMILESNc1csc(C(=O)C(F)(F)F)c1
InChIInChI=1S/C6H4F3NOS/c7-6(8,9)5(11)4-1-3(10)2-12-4/h1-2H,10H2
InChIKeyVABJWWNZBPATDS-UHFFFAOYSA-N
MW195.17 g/mol
LogP2.08
Rot. Bonds1

About 1-(4-aminothiophen-2-yl)-2,2,2-trifluoroethanone

1-(4-aminothiophen-2-yl)-2,2,2-trifluoroethanone (PubChem CID 82375054) has the molecular formula C6H4F3NOS and a molecular weight of 195.17 g/mol. Its IUPAC name is 1-(4-aminothiophen-2-yl)-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-(4-aminothiophen-2-yl)-2,2,2-trifluoroethanone
PubChem CID82375054
Molecular FormulaC6H4F3NOS
Molecular Weight195.17 g/mol
Exact Mass195.00
IUPAC Name1-(4-aminothiophen-2-yl)-2,2,2-trifluoroethanone
SMILESNc1csc(C(=O)C(F)(F)F)c1
InChIInChI=1S/C6H4F3NOS/c7-6(8,9)5(11)4-1-3(10)2-12-4/h1-2H,10H2
InChIKeyVABJWWNZBPATDS-UHFFFAOYSA-N
XLogP2.08
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 ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Acetyl-3-aminothiophene
CID 2735233
4-Aminothiophene-2-carboxamide
CID 45084160
4-Aminothiophene-2-carbaldehyde
CID 14913272
1-(5-Aminothiophen-2-yl)-2,2,2-trifluoroethanone
CID 10559748
2,2,2-Trifluoro-1-(4-nitrothiophen-2-yl)ethanone
CID 126512916
1-(3-Amino-5-methylthiophen-2-yl)ethanone
CID 18731826
1-(4-Aminothiophen-2-yl)ethanone
CID 14913273
1-(4-Aminothiophen-2-yl)propan-1-one
CID 58736001
N-(5-propanoylthiophen-3-yl)methanesulfonamide
CID 58736460
1-[4-(Methylamino)thiophen-2-yl]ethanone
CID 59982854
1-(4-Aminothiophen-2-yl)-2-methylpropan-1-one
CID 82375055
4-Amino-5-methylthiophene-2-carbaldehyde
CID 82418067

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminothiophen-2-yl)-2,2,2-trifluoroethanone?
The IUPAC name of 1-(4-aminothiophen-2-yl)-2,2,2-trifluoroethanone (CID 82375054) is 1-(4-aminothiophen-2-yl)-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-(4-aminothiophen-2-yl)-2,2,2-trifluoroethanone?
The canonical SMILES for 1-(4-aminothiophen-2-yl)-2,2,2-trifluoroethanone is Nc1csc(C(=O)C(F)(F)F)c1.
What is the InChIKey of 1-(4-aminothiophen-2-yl)-2,2,2-trifluoroethanone?
The InChIKey is VABJWWNZBPATDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3NOS/c7-6(8,9)5(11)4-1-3(10)2-12-4/h1-2H,10H2.
What are the key properties of 1-(4-aminothiophen-2-yl)-2,2,2-trifluoroethanone?
1-(4-aminothiophen-2-yl)-2,2,2-trifluoroethanone has a molecular weight of 195.17 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminothiophen-2-yl)-2,2,2-trifluoroethanone is sourced from PubChem (CID 82375054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).