2-amino-2-[5-(trifluoromethyl)thiophen-2-yl]ethanol

C7H8F3NOS — CID 82660410

IUPAC2-amino-2-[5-(trifluoromethyl)thiophen-2-yl]ethanol
SMILESNC(CO)c1ccc(C(F)(F)F)s1
InChIInChI=1S/C7H8F3NOS/c8-7(9,10)6-2-1-5(13-6)4(11)3-12/h1-2,4,12H,3,11H2
InChIKeyZETSDPKXXFXKPR-UHFFFAOYSA-N
MW211.21 g/mol
LogP1.76
Rot. Bonds2

About 2-amino-2-[5-(trifluoromethyl)thiophen-2-yl]ethanol

2-amino-2-[5-(trifluoromethyl)thiophen-2-yl]ethanol (PubChem CID 82660410) has the molecular formula C7H8F3NOS and a molecular weight of 211.21 g/mol. Its IUPAC name is 2-amino-2-[5-(trifluoromethyl)thiophen-2-yl]ethanol.

Molecular Properties

Compound Name2-amino-2-[5-(trifluoromethyl)thiophen-2-yl]ethanol
PubChem CID82660410
Molecular FormulaC7H8F3NOS
Molecular Weight211.21 g/mol
Exact Mass211.03
IUPAC Name2-amino-2-[5-(trifluoromethyl)thiophen-2-yl]ethanol
SMILESNC(CO)c1ccc(C(F)(F)F)s1
InChIInChI=1S/C7H8F3NOS/c8-7(9,10)6-2-1-5(13-6)4(11)3-12/h1-2,4,12H,3,11H2
InChIKeyZETSDPKXXFXKPR-UHFFFAOYSA-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 2-amino-2-[5-(trifluoromethyl)thiophen-2-yl]ethanol?
The IUPAC name of 2-amino-2-[5-(trifluoromethyl)thiophen-2-yl]ethanol (CID 82660410) is 2-amino-2-[5-(trifluoromethyl)thiophen-2-yl]ethanol.
What is the SMILES notation for 2-amino-2-[5-(trifluoromethyl)thiophen-2-yl]ethanol?
The canonical SMILES for 2-amino-2-[5-(trifluoromethyl)thiophen-2-yl]ethanol is NC(CO)c1ccc(C(F)(F)F)s1.
What is the InChIKey of 2-amino-2-[5-(trifluoromethyl)thiophen-2-yl]ethanol?
The InChIKey is ZETSDPKXXFXKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NOS/c8-7(9,10)6-2-1-5(13-6)4(11)3-12/h1-2,4,12H,3,11H2.
What are the key properties of 2-amino-2-[5-(trifluoromethyl)thiophen-2-yl]ethanol?
2-amino-2-[5-(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 2-amino-2-[5-(trifluoromethyl)thiophen-2-yl]ethanol is sourced from PubChem (CID 82660410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).