3-amino-1-(5-ethylthiophen-2-yl)-4,4,4-trifluoro-3-methylbutan-2-one

C11H14F3NOS — CID 116593138

IUPAC3-amino-1-(5-ethylthiophen-2-yl)-4,4,4-trifluoro-3-methylbutan-2-one
SMILESCCc1ccc(CC(=O)C(C)(N)C(F)(F)F)s1
InChIInChI=1S/C11H14F3NOS/c1-3-7-4-5-8(17-7)6-9(16)10(2,15)11(12,13)14/h4-5H,3,6,15H2,1-2H3
InChIKeyANHKFHZRXQXKTG-UHFFFAOYSA-N
MW265.30 g/mol
LogP2.70
Rot. Bonds4

About 3-amino-1-(5-ethylthiophen-2-yl)-4,4,4-trifluoro-3-methylbutan-2-one

3-amino-1-(5-ethylthiophen-2-yl)-4,4,4-trifluoro-3-methylbutan-2-one (PubChem CID 116593138) has the molecular formula C11H14F3NOS and a molecular weight of 265.30 g/mol. Its IUPAC name is 3-amino-1-(5-ethylthiophen-2-yl)-4,4,4-trifluoro-3-methylbutan-2-one.

Molecular Properties

Compound Name3-amino-1-(5-ethylthiophen-2-yl)-4,4,4-trifluoro-3-methylbutan-2-one
PubChem CID116593138
Molecular FormulaC11H14F3NOS
Molecular Weight265.30 g/mol
Exact Mass265.07
IUPAC Name3-amino-1-(5-ethylthiophen-2-yl)-4,4,4-trifluoro-3-methylbutan-2-one
SMILESCCc1ccc(CC(=O)C(C)(N)C(F)(F)F)s1
InChIInChI=1S/C11H14F3NOS/c1-3-7-4-5-8(17-7)6-9(16)10(2,15)11(12,13)14/h4-5H,3,6,15H2,1-2H3
InChIKeyANHKFHZRXQXKTG-UHFFFAOYSA-N
XLogP2.70
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(5-ethylthiophen-2-yl)-4,4,4-trifluoro-3-methylbutan-2-one?
The IUPAC name of 3-amino-1-(5-ethylthiophen-2-yl)-4,4,4-trifluoro-3-methylbutan-2-one (CID 116593138) is 3-amino-1-(5-ethylthiophen-2-yl)-4,4,4-trifluoro-3-methylbutan-2-one.
What is the SMILES notation for 3-amino-1-(5-ethylthiophen-2-yl)-4,4,4-trifluoro-3-methylbutan-2-one?
The canonical SMILES for 3-amino-1-(5-ethylthiophen-2-yl)-4,4,4-trifluoro-3-methylbutan-2-one is CCc1ccc(CC(=O)C(C)(N)C(F)(F)F)s1.
What is the InChIKey of 3-amino-1-(5-ethylthiophen-2-yl)-4,4,4-trifluoro-3-methylbutan-2-one?
The InChIKey is ANHKFHZRXQXKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NOS/c1-3-7-4-5-8(17-7)6-9(16)10(2,15)11(12,13)14/h4-5H,3,6,15H2,1-2H3.
What are the key properties of 3-amino-1-(5-ethylthiophen-2-yl)-4,4,4-trifluoro-3-methylbutan-2-one?
3-amino-1-(5-ethylthiophen-2-yl)-4,4,4-trifluoro-3-methylbutan-2-one has a molecular weight of 265.30 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(5-ethylthiophen-2-yl)-4,4,4-trifluoro-3-methylbutan-2-one is sourced from PubChem (CID 116593138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).