2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(5-methylthiophen-2-yl)ethanone

C12H14F3NOS — CID 55010170

IUPAC2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(5-methylthiophen-2-yl)ethanone
SMILESCc1ccc(C(=O)CN(CC(F)(F)F)C2CC2)s1
InChIInChI=1S/C12H14F3NOS/c1-8-2-5-11(18-8)10(17)6-16(9-3-4-9)7-12(13,14)15/h2,5,9H,3-4,6-7H2,1H3
InChIKeyIAHIZCXSGLRSOF-UHFFFAOYSA-N
MW277.31 g/mol
LogP3.27
Rot. Bonds5

About 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(5-methylthiophen-2-yl)ethanone

2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(5-methylthiophen-2-yl)ethanone (PubChem CID 55010170) has the molecular formula C12H14F3NOS and a molecular weight of 277.31 g/mol. Its IUPAC name is 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(5-methylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(5-methylthiophen-2-yl)ethanone
PubChem CID55010170
Molecular FormulaC12H14F3NOS
Molecular Weight277.31 g/mol
Exact Mass277.07
IUPAC Name2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(5-methylthiophen-2-yl)ethanone
SMILESCc1ccc(C(=O)CN(CC(F)(F)F)C2CC2)s1
InChIInChI=1S/C12H14F3NOS/c1-8-2-5-11(18-8)10(17)6-16(9-3-4-9)7-12(13,14)15/h2,5,9H,3-4,6-7H2,1H3
InChIKeyIAHIZCXSGLRSOF-UHFFFAOYSA-N
XLogP3.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(5-methylthiophen-2-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(5-methylthiophen-2-yl)ethanone?
The IUPAC name of 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(5-methylthiophen-2-yl)ethanone (CID 55010170) is 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(5-methylthiophen-2-yl)ethanone.
What is the SMILES notation for 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(5-methylthiophen-2-yl)ethanone?
The canonical SMILES for 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(5-methylthiophen-2-yl)ethanone is Cc1ccc(C(=O)CN(CC(F)(F)F)C2CC2)s1.
What is the InChIKey of 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(5-methylthiophen-2-yl)ethanone?
The InChIKey is IAHIZCXSGLRSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NOS/c1-8-2-5-11(18-8)10(17)6-16(9-3-4-9)7-12(13,14)15/h2,5,9H,3-4,6-7H2,1H3.
What are the key properties of 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(5-methylthiophen-2-yl)ethanone?
2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(5-methylthiophen-2-yl)ethanone has a molecular weight of 277.31 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(5-methylthiophen-2-yl)ethanone is sourced from PubChem (CID 55010170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).