2-amino-3,3,3-trifluoro-2-methyl-1-thiophen-2-ylpropan-1-one

C8H8F3NOS — CID 116593132

IUPAC2-amino-3,3,3-trifluoro-2-methyl-1-thiophen-2-ylpropan-1-one
SMILESCC(N)(C(=O)c1cccs1)C(F)(F)F
InChIInChI=1S/C8H8F3NOS/c1-7(12,8(9,10)11)6(13)5-3-2-4-14-5/h2-4H,12H2,1H3
InChIKeyNCYRUFUYEVUJFY-UHFFFAOYSA-N
MW223.22 g/mol
LogP2.21
Rot. Bonds2

About 2-amino-3,3,3-trifluoro-2-methyl-1-thiophen-2-ylpropan-1-one

2-amino-3,3,3-trifluoro-2-methyl-1-thiophen-2-ylpropan-1-one (PubChem CID 116593132) has the molecular formula C8H8F3NOS and a molecular weight of 223.22 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-2-methyl-1-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-2-methyl-1-thiophen-2-ylpropan-1-one
PubChem CID116593132
Molecular FormulaC8H8F3NOS
Molecular Weight223.22 g/mol
Exact Mass223.03
IUPAC Name2-amino-3,3,3-trifluoro-2-methyl-1-thiophen-2-ylpropan-1-one
SMILESCC(N)(C(=O)c1cccs1)C(F)(F)F
InChIInChI=1S/C8H8F3NOS/c1-7(12,8(9,10)11)6(13)5-3-2-4-14-5/h2-4H,12H2,1H3
InChIKeyNCYRUFUYEVUJFY-UHFFFAOYSA-N
XLogP2.21
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.22
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,3,3,3-pentafluoro-1-thiophen-2-ylpropan-1-one
CID 103749127
2-chloro-2-ethyl-1-thiophen-2-ylbutan-1-one
CID 45081139
4,4,4-trifluoro-3-hydroxy-3-methyl-1-thiophen-2-ylbutan-1-one
CID 10922579
2-amino-1-(3-bromothiophen-2-yl)-3,3,3-trifluoro-2-methylpropan-1-one
CID 116592949
2-amino-3,3,3-trifluoro-1-(2-fluorophenyl)-2-methylpropan-1-one
CID 116592956
1-thiophen-2-ylpropan-1-one
CID 26179
2-amino-N-(2-tert-butylphenyl)-3,3,3-trifluoro-2-methylpropanamide
CID 79797089
oxo(thiophen-2-yl)methanesulfinic acid
CID 175422247
[2-amino-4-(1,1,2,2,2-pentafluoroethyl)-1,3-thiazol-5-yl]-thiophen-2-ylmethanone
CID 91926726
propan-2-amine;thiophene-2-carboxylic acid
CID 174701743
N-butylthiophene-2-carbohydrazide
CID 54350563
N-ethyl-N-(2-hydroxy-2-methylpropyl)thiophene-2-carboxamide
CID 79381712

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-1-thiophen-2-ylpropan-1-one?
The IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-1-thiophen-2-ylpropan-1-one (CID 116593132) is 2-amino-3,3,3-trifluoro-2-methyl-1-thiophen-2-ylpropan-1-one.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-2-methyl-1-thiophen-2-ylpropan-1-one?
The canonical SMILES for 2-amino-3,3,3-trifluoro-2-methyl-1-thiophen-2-ylpropan-1-one is CC(N)(C(=O)c1cccs1)C(F)(F)F.
What is the InChIKey of 2-amino-3,3,3-trifluoro-2-methyl-1-thiophen-2-ylpropan-1-one?
The InChIKey is NCYRUFUYEVUJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NOS/c1-7(12,8(9,10)11)6(13)5-3-2-4-14-5/h2-4H,12H2,1H3.
What are the key properties of 2-amino-3,3,3-trifluoro-2-methyl-1-thiophen-2-ylpropan-1-one?
2-amino-3,3,3-trifluoro-2-methyl-1-thiophen-2-ylpropan-1-one has a molecular weight of 223.22 g/mol, XLogP of 2.21, 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-thiophen-2-ylpropan-1-one is sourced from PubChem (CID 116593132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).