2,2,2-trifluoro-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine

C9H12F3NS — CID 24696263

IUPAC2,2,2-trifluoro-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine
SMILESCc1ccc(C(C)NCC(F)(F)F)s1
InChIInChI=1S/C9H12F3NS/c1-6-3-4-8(14-6)7(2)13-5-9(10,11)12/h3-4,7,13H,5H2,1-2H3
InChIKeySDLIKMJJKALVDI-UHFFFAOYSA-N
MW223.26 g/mol
LogP3.27
Rot. Bonds3

About 2,2,2-trifluoro-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine

2,2,2-trifluoro-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine (PubChem CID 24696263) has the molecular formula C9H12F3NS and a molecular weight of 223.26 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine
PubChem CID24696263
Molecular FormulaC9H12F3NS
Molecular Weight223.26 g/mol
Exact Mass223.06
IUPAC Name2,2,2-trifluoro-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine
SMILESCc1ccc(C(C)NCC(F)(F)F)s1
InChIInChI=1S/C9H12F3NS/c1-6-3-4-8(14-6)7(2)13-5-9(10,11)12/h3-4,7,13H,5H2,1-2H3
InChIKeySDLIKMJJKALVDI-UHFFFAOYSA-N
XLogP3.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-difluoro-3-[1-(5-methylthiophen-2-yl)ethylamino]propan-1-ol
CID 104860525
2-[1-(5-methylthiophen-2-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 54962058
2-(5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)ethanol
CID 61346981
N-ethyl-1-(5-methylthiophen-2-yl)ethanamine
CID 24705103
1-(5-methylthiophen-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 55151709
N-(2-fluoroethyl)-1-(5-methylthiophen-2-yl)ethanamine
CID 80694036
2-(5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetic acid
CID 61345798
2,3,3-trimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butan-1-amine
CID 83141831
3,3-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butan-1-amine
CID 61473830
(2R)-1-[1-(5-methylthiophen-2-yl)ethylamino]propan-2-ol
CID 103906827
2-[[(1R)-1-(5-methylthiophen-2-yl)ethyl]amino]ethanol
CID 93025500
4,4-dimethyl-5-[1-(5-methylthiophen-2-yl)ethylamino]pentanenitrile
CID 113489849

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine (CID 24696263) is 2,2,2-trifluoro-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine is Cc1ccc(C(C)NCC(F)(F)F)s1.
What is the InChIKey of 2,2,2-trifluoro-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine?
The InChIKey is SDLIKMJJKALVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NS/c1-6-3-4-8(14-6)7(2)13-5-9(10,11)12/h3-4,7,13H,5H2,1-2H3.
What are the key properties of 2,2,2-trifluoro-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine?
2,2,2-trifluoro-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine has a molecular weight of 223.26 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine is sourced from PubChem (CID 24696263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).