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

C14H14F3NS — CID 11358096

IUPAC(1S)-2,2,2-trifluoro-N-[(1S)-1-phenylethyl]-1-thiophen-2-ylethanamine
SMILESC[C@H](N[C@H](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-GXFFZTMASA-N
MW285.33 g/mol
LogP4.70
Rot. Bonds4

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

(1S)-2,2,2-trifluoro-N-[(1S)-1-phenylethyl]-1-thiophen-2-ylethanamine (PubChem CID 11358096) has the molecular formula C14H14F3NS and a molecular weight of 285.33 g/mol. Its IUPAC name is (1S)-2,2,2-trifluoro-N-[(1S)-1-phenylethyl]-1-thiophen-2-ylethanamine.

Molecular Properties

Compound Name(1S)-2,2,2-trifluoro-N-[(1S)-1-phenylethyl]-1-thiophen-2-ylethanamine
PubChem CID11358096
Molecular FormulaC14H14F3NS
Molecular Weight285.33 g/mol
Exact Mass285.08
IUPAC Name(1S)-2,2,2-trifluoro-N-[(1S)-1-phenylethyl]-1-thiophen-2-ylethanamine
SMILESC[C@H](N[C@H](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-GXFFZTMASA-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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Frequently Asked Questions

What is the IUPAC name of (1S)-2,2,2-trifluoro-N-[(1S)-1-phenylethyl]-1-thiophen-2-ylethanamine?
The IUPAC name of (1S)-2,2,2-trifluoro-N-[(1S)-1-phenylethyl]-1-thiophen-2-ylethanamine (CID 11358096) is (1S)-2,2,2-trifluoro-N-[(1S)-1-phenylethyl]-1-thiophen-2-ylethanamine.
What is the SMILES notation for (1S)-2,2,2-trifluoro-N-[(1S)-1-phenylethyl]-1-thiophen-2-ylethanamine?
The canonical SMILES for (1S)-2,2,2-trifluoro-N-[(1S)-1-phenylethyl]-1-thiophen-2-ylethanamine is C[C@H](N[C@H](c1cccs1)C(F)(F)F)c1ccccc1.
What is the InChIKey of (1S)-2,2,2-trifluoro-N-[(1S)-1-phenylethyl]-1-thiophen-2-ylethanamine?
The InChIKey is ULVJCHHBGQMTDF-GXFFZTMASA-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 (1S)-2,2,2-trifluoro-N-[(1S)-1-phenylethyl]-1-thiophen-2-ylethanamine?
(1S)-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 (1S)-2,2,2-trifluoro-N-[(1S)-1-phenylethyl]-1-thiophen-2-ylethanamine is sourced from PubChem (CID 11358096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).