(1R,2S)-1-amino-1-[2-(trifluoromethyl)thiophen-3-yl]propan-2-ol

C8H10F3NOS — CID 130641808

IUPAC(1R,2S)-1-amino-1-[2-(trifluoromethyl)thiophen-3-yl]propan-2-ol
SMILESC[C@H](O)[C@H](N)c1ccsc1C(F)(F)F
InChIInChI=1S/C8H10F3NOS/c1-4(13)6(12)5-2-3-14-7(5)8(9,10)11/h2-4,6,13H,12H2,1H3/t4-,6-/m0/s1
InChIKeyPEXQNQMXBQGPIF-NJGYIYPDSA-N
MW225.24 g/mol
LogP2.15
Rot. Bonds2

About (1R,2S)-1-amino-1-[2-(trifluoromethyl)thiophen-3-yl]propan-2-ol

(1R,2S)-1-amino-1-[2-(trifluoromethyl)thiophen-3-yl]propan-2-ol (PubChem CID 130641808) has the molecular formula C8H10F3NOS and a molecular weight of 225.24 g/mol. Its IUPAC name is (1R,2S)-1-amino-1-[2-(trifluoromethyl)thiophen-3-yl]propan-2-ol.

Molecular Properties

Compound Name(1R,2S)-1-amino-1-[2-(trifluoromethyl)thiophen-3-yl]propan-2-ol
PubChem CID130641808
Molecular FormulaC8H10F3NOS
Molecular Weight225.24 g/mol
Exact Mass225.04
IUPAC Name(1R,2S)-1-amino-1-[2-(trifluoromethyl)thiophen-3-yl]propan-2-ol
SMILESC[C@H](O)[C@H](N)c1ccsc1C(F)(F)F
InChIInChI=1S/C8H10F3NOS/c1-4(13)6(12)5-2-3-14-7(5)8(9,10)11/h2-4,6,13H,12H2,1H3/t4-,6-/m0/s1
InChIKeyPEXQNQMXBQGPIF-NJGYIYPDSA-N
XLogP2.15
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Amino-2-(3-methylthiophen-2-yl)ethan-1-ol hydrochloride
CID 71755403
[2-Hydroxy-1-(thiophen-2-YL)ethyl]amine
CID 54000759
(1R,2S)-2-amino-3-fluoro-1-(4-methylthiophen-2-yl)propan-1-ol
CID 67565866
(1R,2R)-2-amino-3-fluoro-1-(4-methylthiophen-2-yl)propan-1-ol
CID 67900490
(2S,4S)-4-amino-1,1,1-trifluoro-4-(4-methylthiophen-2-yl)pentan-2-ol
CID 90308209
4-Amino-1,1,1-trifluoro-4-(4-methylthiophen-2-yl)pentan-2-ol
CID 123391992
(2S)-1-amino-1-(2-fluorothiophen-3-yl)propan-2-ol
CID 142633970
(2S)-2-amino-2-[5-(difluoromethyl)thiophen-3-yl]ethanol
CID 55275402
2-Amino-2-[5-(difluoromethyl)thiophen-3-yl]ethanol
CID 55296160
2-(3-Methylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)ethanol
CID 61346398
2-(2,5-Dimethylthiophen-3-yl)-2-(2,2,2-trifluoroethylamino)ethanol
CID 61556944
3-[1-(2,5-Dimethylthiophen-3-yl)ethylamino]-1,1,1-trifluoropropan-2-ol
CID 63902098

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-amino-1-[2-(trifluoromethyl)thiophen-3-yl]propan-2-ol?
The IUPAC name of (1R,2S)-1-amino-1-[2-(trifluoromethyl)thiophen-3-yl]propan-2-ol (CID 130641808) is (1R,2S)-1-amino-1-[2-(trifluoromethyl)thiophen-3-yl]propan-2-ol.
What is the SMILES notation for (1R,2S)-1-amino-1-[2-(trifluoromethyl)thiophen-3-yl]propan-2-ol?
The canonical SMILES for (1R,2S)-1-amino-1-[2-(trifluoromethyl)thiophen-3-yl]propan-2-ol is C[C@H](O)[C@H](N)c1ccsc1C(F)(F)F.
What is the InChIKey of (1R,2S)-1-amino-1-[2-(trifluoromethyl)thiophen-3-yl]propan-2-ol?
The InChIKey is PEXQNQMXBQGPIF-NJGYIYPDSA-N. The full InChI is InChI=1S/C8H10F3NOS/c1-4(13)6(12)5-2-3-14-7(5)8(9,10)11/h2-4,6,13H,12H2,1H3/t4-,6-/m0/s1.
What are the key properties of (1R,2S)-1-amino-1-[2-(trifluoromethyl)thiophen-3-yl]propan-2-ol?
(1R,2S)-1-amino-1-[2-(trifluoromethyl)thiophen-3-yl]propan-2-ol has a molecular weight of 225.24 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-amino-1-[2-(trifluoromethyl)thiophen-3-yl]propan-2-ol is sourced from PubChem (CID 130641808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).