2-amino-3,3,3-trifluoro-2-methyl-1-(5-methylthiophen-2-yl)propan-1-one

C9H10F3NOS — CID 116592937

IUPAC2-amino-3,3,3-trifluoro-2-methyl-1-(5-methylthiophen-2-yl)propan-1-one
SMILESCc1ccc(C(=O)C(C)(N)C(F)(F)F)s1
InChIInChI=1S/C9H10F3NOS/c1-5-3-4-6(15-5)7(14)8(2,13)9(10,11)12/h3-4H,13H2,1-2H3
InChIKeyMFGLFJXXMQIHKB-UHFFFAOYSA-N
MW237.25 g/mol
LogP2.52
Rot. Bonds2

About 2-amino-3,3,3-trifluoro-2-methyl-1-(5-methylthiophen-2-yl)propan-1-one

2-amino-3,3,3-trifluoro-2-methyl-1-(5-methylthiophen-2-yl)propan-1-one (PubChem CID 116592937) has the molecular formula C9H10F3NOS and a molecular weight of 237.25 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-2-methyl-1-(5-methylthiophen-2-yl)propan-1-one.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-2-methyl-1-(5-methylthiophen-2-yl)propan-1-one
PubChem CID116592937
Molecular FormulaC9H10F3NOS
Molecular Weight237.25 g/mol
Exact Mass237.04
IUPAC Name2-amino-3,3,3-trifluoro-2-methyl-1-(5-methylthiophen-2-yl)propan-1-one
SMILESCc1ccc(C(=O)C(C)(N)C(F)(F)F)s1
InChIInChI=1S/C9H10F3NOS/c1-5-3-4-6(15-5)7(14)8(2,13)9(10,11)12/h3-4H,13H2,1-2H3
InChIKeyMFGLFJXXMQIHKB-UHFFFAOYSA-N
XLogP2.52
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Pentyl-5-(trifluoromethyl)thiophene-2-carboxamide
CID 67388559
2-Methyl-1-[5-(trifluoromethyl)thiophen-2-yl]propan-1-one
CID 89691994
2,2-Dimethyl-1-[5-(trifluoromethyl)thiophen-2-yl]propan-1-one
CID 131211099
2-Amino-1-[5-(trifluoromethyl)thiophen-2-yl]ethan-1-one
CID 82611909
2,2,2-Trifluoro-1-[5-(2-methylpropyl)-2-thienyl]ethanone
CID 83957731
3-Amino-1-[5-(trifluoromethyl)thiophen-2-yl]propan-1-one
CID 96886723
2-Amino-3,3,3-trifluoro-2-methyl-1-(2-methylthiophen-3-yl)propan-1-one
CID 102839564
3,3,3-Trifluoro-1-(5-methylthiophen-2-yl)-2-(trifluoromethyl)propan-1-one
CID 103309355
1-(5-Ethylthiophen-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
CID 103309357
2-Amino-1-(3-chlorothiophen-2-yl)-3,3,3-trifluoro-2-methylpropan-1-one
CID 107361505
3-Amino-1-(5-bromothiophen-2-yl)-4,4,4-trifluoro-3-methylbutan-2-one
CID 116592878
2-Amino-1-(5-chlorothiophen-2-yl)-3,3,3-trifluoro-2-methylpropan-1-one
CID 116592904

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-1-(5-methylthiophen-2-yl)propan-1-one?
The IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-1-(5-methylthiophen-2-yl)propan-1-one (CID 116592937) is 2-amino-3,3,3-trifluoro-2-methyl-1-(5-methylthiophen-2-yl)propan-1-one.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-2-methyl-1-(5-methylthiophen-2-yl)propan-1-one?
The canonical SMILES for 2-amino-3,3,3-trifluoro-2-methyl-1-(5-methylthiophen-2-yl)propan-1-one is Cc1ccc(C(=O)C(C)(N)C(F)(F)F)s1.
What is the InChIKey of 2-amino-3,3,3-trifluoro-2-methyl-1-(5-methylthiophen-2-yl)propan-1-one?
The InChIKey is MFGLFJXXMQIHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NOS/c1-5-3-4-6(15-5)7(14)8(2,13)9(10,11)12/h3-4H,13H2,1-2H3.
What are the key properties of 2-amino-3,3,3-trifluoro-2-methyl-1-(5-methylthiophen-2-yl)propan-1-one?
2-amino-3,3,3-trifluoro-2-methyl-1-(5-methylthiophen-2-yl)propan-1-one has a molecular weight of 237.25 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3,3-trifluoro-2-methyl-1-(5-methylthiophen-2-yl)propan-1-one is sourced from PubChem (CID 116592937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).