3-amino-4,4,4-trifluoro-3-methyl-1-thiophen-2-ylbutan-2-one

C9H10F3NOS — CID 116592919

IUPAC3-amino-4,4,4-trifluoro-3-methyl-1-thiophen-2-ylbutan-2-one
SMILESCC(N)(C(=O)Cc1cccs1)C(F)(F)F
InChIInChI=1S/C9H10F3NOS/c1-8(13,9(10,11)12)7(14)5-6-3-2-4-15-6/h2-4H,5,13H2,1H3
InChIKeyFMRLYWSWTBJFEY-UHFFFAOYSA-N
MW237.25 g/mol
LogP2.14
Rot. Bonds3

About 3-amino-4,4,4-trifluoro-3-methyl-1-thiophen-2-ylbutan-2-one

3-amino-4,4,4-trifluoro-3-methyl-1-thiophen-2-ylbutan-2-one (PubChem CID 116592919) has the molecular formula C9H10F3NOS and a molecular weight of 237.25 g/mol. Its IUPAC name is 3-amino-4,4,4-trifluoro-3-methyl-1-thiophen-2-ylbutan-2-one.

Molecular Properties

Compound Name3-amino-4,4,4-trifluoro-3-methyl-1-thiophen-2-ylbutan-2-one
PubChem CID116592919
Molecular FormulaC9H10F3NOS
Molecular Weight237.25 g/mol
Exact Mass237.04
IUPAC Name3-amino-4,4,4-trifluoro-3-methyl-1-thiophen-2-ylbutan-2-one
SMILESCC(N)(C(=O)Cc1cccs1)C(F)(F)F
InChIInChI=1S/C9H10F3NOS/c1-8(13,9(10,11)12)7(14)5-6-3-2-4-15-6/h2-4H,5,13H2,1H3
InChIKeyFMRLYWSWTBJFEY-UHFFFAOYSA-N
XLogP2.14
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Amino-2-[3-(difluoromethyl)thiophen-2-yl]-5-methylcyclopent-2-en-1-one
CID 22153102
3-Amino-5-methyl-2-[3-(trifluoromethyl)thiophen-2-yl]cyclopent-2-en-1-one
CID 22153195
1,1,1-Trifluoro-2-thiophen-2-ylheptane-3,4-dione
CID 140489469
3,3-Dimethyl-1-thiophen-2-ylbutan-2-one;1,1,1,4,4,4-hexafluorobutane-2,3-dione
CID 161348723
3-[3-(3,3,3-Trifluoropropyl)thiophen-2-yl]propanamide
CID 175816260
2-Amino-3,3,3-trifluoro-2-methyl-1-(2-methylthiophen-3-yl)propan-1-one
CID 102839564
3-Amino-1-(1-benzothiophen-3-yl)-4,4,4-trifluoro-3-methylbutan-2-one
CID 113540865
3-Amino-1-(5-bromothiophen-2-yl)-4,4,4-trifluoro-3-methylbutan-2-one
CID 116592878
2-Amino-3,3,3-trifluoro-2-methyl-1-(5-methylthiophen-2-yl)propan-1-one
CID 116592937
2-Amino-3,3,3-trifluoro-2-methyl-1-(3-methylthiophen-2-yl)propan-1-one
CID 116592939
2-Amino-1-(3-bromothiophen-2-yl)-3,3,3-trifluoro-2-methylpropan-1-one
CID 116592949
2-Amino-1,1,1-trifluoro-2-methyl-5-thiophen-2-ylpentan-3-one
CID 116593006

Frequently Asked Questions

What is the IUPAC name of 3-amino-4,4,4-trifluoro-3-methyl-1-thiophen-2-ylbutan-2-one?
The IUPAC name of 3-amino-4,4,4-trifluoro-3-methyl-1-thiophen-2-ylbutan-2-one (CID 116592919) is 3-amino-4,4,4-trifluoro-3-methyl-1-thiophen-2-ylbutan-2-one.
What is the SMILES notation for 3-amino-4,4,4-trifluoro-3-methyl-1-thiophen-2-ylbutan-2-one?
The canonical SMILES for 3-amino-4,4,4-trifluoro-3-methyl-1-thiophen-2-ylbutan-2-one is CC(N)(C(=O)Cc1cccs1)C(F)(F)F.
What is the InChIKey of 3-amino-4,4,4-trifluoro-3-methyl-1-thiophen-2-ylbutan-2-one?
The InChIKey is FMRLYWSWTBJFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NOS/c1-8(13,9(10,11)12)7(14)5-6-3-2-4-15-6/h2-4H,5,13H2,1H3.
What are the key properties of 3-amino-4,4,4-trifluoro-3-methyl-1-thiophen-2-ylbutan-2-one?
3-amino-4,4,4-trifluoro-3-methyl-1-thiophen-2-ylbutan-2-one has a molecular weight of 237.25 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,4,4-trifluoro-3-methyl-1-thiophen-2-ylbutan-2-one is sourced from PubChem (CID 116592919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).