1-(5-amino-2-methylthiophen-3-yl)-2,2,2-trifluoroethanone

C7H6F3NOS — CID 82395204

IUPAC1-(5-amino-2-methylthiophen-3-yl)-2,2,2-trifluoroethanone
SMILESCc1sc(N)cc1C(=O)C(F)(F)F
InChIInChI=1S/C7H6F3NOS/c1-3-4(2-5(11)13-3)6(12)7(8,9)10/h2H,11H2,1H3
InChIKeyPMHILMBXYKWJIA-UHFFFAOYSA-N
MW209.19 g/mol
LogP2.38
Rot. Bonds1

About 1-(5-amino-2-methylthiophen-3-yl)-2,2,2-trifluoroethanone

1-(5-amino-2-methylthiophen-3-yl)-2,2,2-trifluoroethanone (PubChem CID 82395204) has the molecular formula C7H6F3NOS and a molecular weight of 209.19 g/mol. Its IUPAC name is 1-(5-amino-2-methylthiophen-3-yl)-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-(5-amino-2-methylthiophen-3-yl)-2,2,2-trifluoroethanone
PubChem CID82395204
Molecular FormulaC7H6F3NOS
Molecular Weight209.19 g/mol
Exact Mass209.01
IUPAC Name1-(5-amino-2-methylthiophen-3-yl)-2,2,2-trifluoroethanone
SMILESCc1sc(N)cc1C(=O)C(F)(F)F
InChIInChI=1S/C7H6F3NOS/c1-3-4(2-5(11)13-3)6(12)7(8,9)10/h2H,11H2,1H3
InChIKeyPMHILMBXYKWJIA-UHFFFAOYSA-N
XLogP2.38
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.19
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-Aminothiophen-2-yl)ethanone
CID 520549
1-(5-Aminothiophen-2-yl)-2,2,2-trifluoroethanone
CID 10559748
1-[2-Amino-5-(2,2,2-trifluoroethyl)thiophen-3-yl]ethanone
CID 131330820
1-(5-Aminothiophen-3-yl)-2,2,2-trifluoroethanone
CID 82372579
5-Amino-4-(trifluoromethyl)thiophene-2-carbaldehyde
CID 96622872
1-(5-Aminothiophen-2-yl)ethanone;hydrochloride
CID 21183812
5-Amino-3-methyl-2-thiophenecarboxamide
CID 58873957
1-(5-Amino-3-methylthiophen-2-yl)ethanone
CID 59821076
1-(2-Amino-5-methylthiophen-3-yl)ethanone
CID 65354831
1-(5-Aminothiophen-3-yl)ethanone
CID 82372577
1-(5-Amino-3-ethylthiophen-2-yl)ethanone
CID 96631877
1-(5-Amino-4-methylthiophen-2-yl)ethanone
CID 96635061

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-2-methylthiophen-3-yl)-2,2,2-trifluoroethanone?
The IUPAC name of 1-(5-amino-2-methylthiophen-3-yl)-2,2,2-trifluoroethanone (CID 82395204) is 1-(5-amino-2-methylthiophen-3-yl)-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-(5-amino-2-methylthiophen-3-yl)-2,2,2-trifluoroethanone?
The canonical SMILES for 1-(5-amino-2-methylthiophen-3-yl)-2,2,2-trifluoroethanone is Cc1sc(N)cc1C(=O)C(F)(F)F.
What is the InChIKey of 1-(5-amino-2-methylthiophen-3-yl)-2,2,2-trifluoroethanone?
The InChIKey is PMHILMBXYKWJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NOS/c1-3-4(2-5(11)13-3)6(12)7(8,9)10/h2H,11H2,1H3.
What are the key properties of 1-(5-amino-2-methylthiophen-3-yl)-2,2,2-trifluoroethanone?
1-(5-amino-2-methylthiophen-3-yl)-2,2,2-trifluoroethanone has a molecular weight of 209.19 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-2-methylthiophen-3-yl)-2,2,2-trifluoroethanone is sourced from PubChem (CID 82395204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).