2,2,2-trifluoro-N-[(1S)-1-phenylethyl]-1-thiophen-2-ylethanamine

C14H14F3NS — CID 101163483

IUPAC2,2,2-trifluoro-N-[(1S)-1-phenylethyl]-1-thiophen-2-ylethanamine
SMILESC[C@H](NC(c1cccs1)C(F)(F)F)c1ccccc1
InChIInChI=1S/C14H14F3NS/c1-10(11-6-3-2-4-7-11)18-13(14(15,16)17)12-8-5-9-19-12/h2-10,13,18H,1H3/t10-,13?/m0/s1
InChIKeyULVJCHHBGQMTDF-NKUHCKNESA-N
MW285.33 g/mol
LogP4.70
Rot. Bonds4

About 2,2,2-trifluoro-N-[(1S)-1-phenylethyl]-1-thiophen-2-ylethanamine

2,2,2-trifluoro-N-[(1S)-1-phenylethyl]-1-thiophen-2-ylethanamine (PubChem CID 101163483) has the molecular formula C14H14F3NS and a molecular weight of 285.33 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(1S)-1-phenylethyl]-1-thiophen-2-ylethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(1S)-1-phenylethyl]-1-thiophen-2-ylethanamine
PubChem CID101163483
Molecular FormulaC14H14F3NS
Molecular Weight285.33 g/mol
Exact Mass285.08
IUPAC Name2,2,2-trifluoro-N-[(1S)-1-phenylethyl]-1-thiophen-2-ylethanamine
SMILESC[C@H](NC(c1cccs1)C(F)(F)F)c1ccccc1
InChIInChI=1S/C14H14F3NS/c1-10(11-6-3-2-4-7-11)18-13(14(15,16)17)12-8-5-9-19-12/h2-10,13,18H,1H3/t10-,13?/m0/s1
InChIKeyULVJCHHBGQMTDF-NKUHCKNESA-N
XLogP4.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 1817785
4-phenyl-4H,5H,6H,7H-thieno(3,2-c)pyridine
CID 6485298
Tifacogin
CID 961320
Benzyl(1-(thiophen-2-yl)propan-2-yl)amine
CID 4868418
7-methyl-4H,5H,6H,7H-thieno(2,3-c)pyridine
CID 14548169
N-methyl-1-(2-thiophen-2-ylphenyl)methanamine
CID 7060565
N-[(3-methylthiophen-2-yl)methyl]cyclohexanamine
CID 4721499
[(4-Chlorophenyl)methyl][1-(thiophen-2-yl)propan-2-yl]amine
CID 4868416
Phenethyl-thiophen-2-ylmethyl-amine hydrochloride
CID 24746854
N-benzylthiophene-2-carbothioamide
CID 5298964
N-[2-(4-fluorophenyl)ethyl]-N-[(3-methyl-2-thienyl)methyl]amine
CID 1817795
7-phenyl-4H,5H,6H,7H-thieno[2,3-c]pyridine
CID 14548167

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(1S)-1-phenylethyl]-1-thiophen-2-ylethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[(1S)-1-phenylethyl]-1-thiophen-2-ylethanamine (CID 101163483) is 2,2,2-trifluoro-N-[(1S)-1-phenylethyl]-1-thiophen-2-ylethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[(1S)-1-phenylethyl]-1-thiophen-2-ylethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[(1S)-1-phenylethyl]-1-thiophen-2-ylethanamine is C[C@H](NC(c1cccs1)C(F)(F)F)c1ccccc1.
What is the InChIKey of 2,2,2-trifluoro-N-[(1S)-1-phenylethyl]-1-thiophen-2-ylethanamine?
The InChIKey is ULVJCHHBGQMTDF-NKUHCKNESA-N. The full InChI is InChI=1S/C14H14F3NS/c1-10(11-6-3-2-4-7-11)18-13(14(15,16)17)12-8-5-9-19-12/h2-10,13,18H,1H3/t10-,13?/m0/s1.
What are the key properties of 2,2,2-trifluoro-N-[(1S)-1-phenylethyl]-1-thiophen-2-ylethanamine?
2,2,2-trifluoro-N-[(1S)-1-phenylethyl]-1-thiophen-2-ylethanamine has a molecular weight of 285.33 g/mol, XLogP of 4.70, 4 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-[(1S)-1-phenylethyl]-1-thiophen-2-ylethanamine is sourced from PubChem (CID 101163483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).