(2S)-3-amino-1,1,1-trifluoro-2-thiophen-2-ylpropan-2-ol

C7H8F3NOS — CID 95011095

IUPAC(2S)-3-amino-1,1,1-trifluoro-2-thiophen-2-ylpropan-2-ol
SMILESNC[C@@](O)(c1cccs1)C(F)(F)F
InChIInChI=1S/C7H8F3NOS/c8-7(9,10)6(12,4-11)5-2-1-3-13-5/h1-3,12H,4,11H2/t6-/m1/s1
InChIKeyWOCYIZDOSCEUGS-ZCFIWIBFSA-N
MW211.21 g/mol
LogP1.46
Rot. Bonds2

About (2S)-3-amino-1,1,1-trifluoro-2-thiophen-2-ylpropan-2-ol

(2S)-3-amino-1,1,1-trifluoro-2-thiophen-2-ylpropan-2-ol (PubChem CID 95011095) has the molecular formula C7H8F3NOS and a molecular weight of 211.21 g/mol. Its IUPAC name is (2S)-3-amino-1,1,1-trifluoro-2-thiophen-2-ylpropan-2-ol.

Molecular Properties

Compound Name(2S)-3-amino-1,1,1-trifluoro-2-thiophen-2-ylpropan-2-ol
PubChem CID95011095
Molecular FormulaC7H8F3NOS
Molecular Weight211.21 g/mol
Exact Mass211.03
IUPAC Name(2S)-3-amino-1,1,1-trifluoro-2-thiophen-2-ylpropan-2-ol
SMILESNC[C@@](O)(c1cccs1)C(F)(F)F
InChIInChI=1S/C7H8F3NOS/c8-7(9,10)6(12,4-11)5-2-1-3-13-5/h1-3,12H,4,11H2/t6-/m1/s1
InChIKeyWOCYIZDOSCEUGS-ZCFIWIBFSA-N
XLogP1.46
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.21
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-amino-1,1,1-trifluoro-2-thiophen-2-ylpropan-2-ol?
The IUPAC name of (2S)-3-amino-1,1,1-trifluoro-2-thiophen-2-ylpropan-2-ol (CID 95011095) is (2S)-3-amino-1,1,1-trifluoro-2-thiophen-2-ylpropan-2-ol.
What is the SMILES notation for (2S)-3-amino-1,1,1-trifluoro-2-thiophen-2-ylpropan-2-ol?
The canonical SMILES for (2S)-3-amino-1,1,1-trifluoro-2-thiophen-2-ylpropan-2-ol is NC[C@@](O)(c1cccs1)C(F)(F)F.
What is the InChIKey of (2S)-3-amino-1,1,1-trifluoro-2-thiophen-2-ylpropan-2-ol?
The InChIKey is WOCYIZDOSCEUGS-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H8F3NOS/c8-7(9,10)6(12,4-11)5-2-1-3-13-5/h1-3,12H,4,11H2/t6-/m1/s1.
What are the key properties of (2S)-3-amino-1,1,1-trifluoro-2-thiophen-2-ylpropan-2-ol?
(2S)-3-amino-1,1,1-trifluoro-2-thiophen-2-ylpropan-2-ol has a molecular weight of 211.21 g/mol, XLogP of 1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-amino-1,1,1-trifluoro-2-thiophen-2-ylpropan-2-ol is sourced from PubChem (CID 95011095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).