(1R)-1-thiophen-3-yl-2-[[(2S)-1,1,1-trifluoro-3-phenylpropan-2-yl]amino]ethanol

C15H16F3NOS — CID 97232548

IUPAC(1R)-1-thiophen-3-yl-2-[[(2S)-1,1,1-trifluoro-3-phenylpropan-2-yl]amino]ethanol
SMILESO[C@@H](CN[C@@H](Cc1ccccc1)C(F)(F)F)c1ccsc1
InChIInChI=1S/C15H16F3NOS/c16-15(17,18)14(8-11-4-2-1-3-5-11)19-9-13(20)12-6-7-21-10-12/h1-7,10,13-14,19-20H,8-9H2/t13-,14-/m0/s1
InChIKeyGGVVHUBONVPRLG-KBPBESRZSA-N
MW315.36 g/mol
LogP3.54
Rot. Bonds6

About (1R)-1-thiophen-3-yl-2-[[(2S)-1,1,1-trifluoro-3-phenylpropan-2-yl]amino]ethanol

(1R)-1-thiophen-3-yl-2-[[(2S)-1,1,1-trifluoro-3-phenylpropan-2-yl]amino]ethanol (PubChem CID 97232548) has the molecular formula C15H16F3NOS and a molecular weight of 315.36 g/mol. Its IUPAC name is (1R)-1-thiophen-3-yl-2-[[(2S)-1,1,1-trifluoro-3-phenylpropan-2-yl]amino]ethanol.

Molecular Properties

Compound Name(1R)-1-thiophen-3-yl-2-[[(2S)-1,1,1-trifluoro-3-phenylpropan-2-yl]amino]ethanol
PubChem CID97232548
Molecular FormulaC15H16F3NOS
Molecular Weight315.36 g/mol
Exact Mass315.09
IUPAC Name(1R)-1-thiophen-3-yl-2-[[(2S)-1,1,1-trifluoro-3-phenylpropan-2-yl]amino]ethanol
SMILESO[C@@H](CN[C@@H](Cc1ccccc1)C(F)(F)F)c1ccsc1
InChIInChI=1S/C15H16F3NOS/c16-15(17,18)14(8-11-4-2-1-3-5-11)19-9-13(20)12-6-7-21-10-12/h1-7,10,13-14,19-20H,8-9H2/t13-,14-/m0/s1
InChIKeyGGVVHUBONVPRLG-KBPBESRZSA-N
XLogP3.54
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1R)-1-thiophen-3-yl-2-[[(2S)-1,1,1-trifluoro-3-phenylpropan-2-yl]amino]ethanol with MolForge

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Related Compounds

(1S)-1-thiophen-3-yl-2-[[(2S)-1,1,1-trifluoro-3-phenylpropan-2-yl]amino]ethanol
CID 97232550
1-thiophen-3-yl-2-[(3,3,3-trifluoro-1-phenylpropyl)amino]ethanol
CID 106434786
2-benzyl-N-(2-hydroxy-2-thiophen-3-ylethyl)-3-methylbutanamide
CID 111441195
2-[1-[4-(2-methylpropyl)phenyl]ethylamino]-1-thiophen-3-ylethanol
CID 103785241
(1R)-2-[[(1S)-1-(1-phenylcyclopentyl)ethyl]amino]-1-thiophen-3-ylethanol
CID 100680717
N'-(2-hydroxy-2-thiophen-3-ylethyl)-N-(2-phenylethyl)oxamide
CID 90496649
2-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-phenylpropanamide;hydrochloride
CID 120593036
(2-phenyl-1-thiophen-3-ylethyl)hydrazine
CID 105195136
2-(dithiophen-2-ylmethylamino)-1-thiophen-3-ylethanol
CID 106434757
1-thiophen-3-yl-2-(4,4,4-trifluorobutylamino)ethanol
CID 106435115
1-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-2-phenylpropan-2-ol
CID 106435302
2-(2-fluoroethylamino)-1-thiophen-3-ylethanol
CID 106435014

Frequently Asked Questions

What is the IUPAC name of (1R)-1-thiophen-3-yl-2-[[(2S)-1,1,1-trifluoro-3-phenylpropan-2-yl]amino]ethanol?
The IUPAC name of (1R)-1-thiophen-3-yl-2-[[(2S)-1,1,1-trifluoro-3-phenylpropan-2-yl]amino]ethanol (CID 97232548) is (1R)-1-thiophen-3-yl-2-[[(2S)-1,1,1-trifluoro-3-phenylpropan-2-yl]amino]ethanol.
What is the SMILES notation for (1R)-1-thiophen-3-yl-2-[[(2S)-1,1,1-trifluoro-3-phenylpropan-2-yl]amino]ethanol?
The canonical SMILES for (1R)-1-thiophen-3-yl-2-[[(2S)-1,1,1-trifluoro-3-phenylpropan-2-yl]amino]ethanol is O[C@@H](CN[C@@H](Cc1ccccc1)C(F)(F)F)c1ccsc1.
What is the InChIKey of (1R)-1-thiophen-3-yl-2-[[(2S)-1,1,1-trifluoro-3-phenylpropan-2-yl]amino]ethanol?
The InChIKey is GGVVHUBONVPRLG-KBPBESRZSA-N. The full InChI is InChI=1S/C15H16F3NOS/c16-15(17,18)14(8-11-4-2-1-3-5-11)19-9-13(20)12-6-7-21-10-12/h1-7,10,13-14,19-20H,8-9H2/t13-,14-/m0/s1.
What are the key properties of (1R)-1-thiophen-3-yl-2-[[(2S)-1,1,1-trifluoro-3-phenylpropan-2-yl]amino]ethanol?
(1R)-1-thiophen-3-yl-2-[[(2S)-1,1,1-trifluoro-3-phenylpropan-2-yl]amino]ethanol has a molecular weight of 315.36 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-thiophen-3-yl-2-[[(2S)-1,1,1-trifluoro-3-phenylpropan-2-yl]amino]ethanol is sourced from PubChem (CID 97232548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).