(2S)-2-amino-2-[4-(trifluoromethyl)thiophen-2-yl]ethanol

C7H8F3NOS — CID 96865690

IUPAC(2S)-2-amino-2-[4-(trifluoromethyl)thiophen-2-yl]ethanol
SMILESN[C@@H](CO)c1cc(C(F)(F)F)cs1
InChIInChI=1S/C7H8F3NOS/c8-7(9,10)4-1-6(13-3-4)5(11)2-12/h1,3,5,12H,2,11H2/t5-/m0/s1
InChIKeyRFQITBNSBHPQEX-YFKPBYRVSA-N
MW211.21 g/mol
LogP1.76
Rot. Bonds2

About (2S)-2-amino-2-[4-(trifluoromethyl)thiophen-2-yl]ethanol

(2S)-2-amino-2-[4-(trifluoromethyl)thiophen-2-yl]ethanol (PubChem CID 96865690) has the molecular formula C7H8F3NOS and a molecular weight of 211.21 g/mol. Its IUPAC name is (2S)-2-amino-2-[4-(trifluoromethyl)thiophen-2-yl]ethanol.

Molecular Properties

Compound Name(2S)-2-amino-2-[4-(trifluoromethyl)thiophen-2-yl]ethanol
PubChem CID96865690
Molecular FormulaC7H8F3NOS
Molecular Weight211.21 g/mol
Exact Mass211.03
IUPAC Name(2S)-2-amino-2-[4-(trifluoromethyl)thiophen-2-yl]ethanol
SMILESN[C@@H](CO)c1cc(C(F)(F)F)cs1
InChIInChI=1S/C7H8F3NOS/c8-7(9,10)4-1-6(13-3-4)5(11)2-12/h1,3,5,12H,2,11H2/t5-/m0/s1
InChIKeyRFQITBNSBHPQEX-YFKPBYRVSA-N
XLogP1.76
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 ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-[4-(trifluoromethyl)thiophen-2-yl]ethanol?
The IUPAC name of (2S)-2-amino-2-[4-(trifluoromethyl)thiophen-2-yl]ethanol (CID 96865690) is (2S)-2-amino-2-[4-(trifluoromethyl)thiophen-2-yl]ethanol.
What is the SMILES notation for (2S)-2-amino-2-[4-(trifluoromethyl)thiophen-2-yl]ethanol?
The canonical SMILES for (2S)-2-amino-2-[4-(trifluoromethyl)thiophen-2-yl]ethanol is N[C@@H](CO)c1cc(C(F)(F)F)cs1.
What is the InChIKey of (2S)-2-amino-2-[4-(trifluoromethyl)thiophen-2-yl]ethanol?
The InChIKey is RFQITBNSBHPQEX-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H8F3NOS/c8-7(9,10)4-1-6(13-3-4)5(11)2-12/h1,3,5,12H,2,11H2/t5-/m0/s1.
What are the key properties of (2S)-2-amino-2-[4-(trifluoromethyl)thiophen-2-yl]ethanol?
(2S)-2-amino-2-[4-(trifluoromethyl)thiophen-2-yl]ethanol has a molecular weight of 211.21 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-[4-(trifluoromethyl)thiophen-2-yl]ethanol is sourced from PubChem (CID 96865690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).