3-amino-1,1,1-trifluoro-2-(5-methylthiophen-3-yl)propan-2-ol

C8H10F3NOS — CID 65099485

IUPAC3-amino-1,1,1-trifluoro-2-(5-methylthiophen-3-yl)propan-2-ol
SMILESCc1cc(C(O)(CN)C(F)(F)F)cs1
InChIInChI=1S/C8H10F3NOS/c1-5-2-6(3-14-5)7(13,4-12)8(9,10)11/h2-3,13H,4,12H2,1H3
InChIKeyWEAZZEAPZDZCKU-UHFFFAOYSA-N
MW225.23 g/mol
LogP1.77
Rot. Bonds2

About 3-amino-1,1,1-trifluoro-2-(5-methylthiophen-3-yl)propan-2-ol

3-amino-1,1,1-trifluoro-2-(5-methylthiophen-3-yl)propan-2-ol (PubChem CID 65099485) has the molecular formula C8H10F3NOS and a molecular weight of 225.23 g/mol. Its IUPAC name is 3-amino-1,1,1-trifluoro-2-(5-methylthiophen-3-yl)propan-2-ol.

Molecular Properties

Compound Name3-amino-1,1,1-trifluoro-2-(5-methylthiophen-3-yl)propan-2-ol
PubChem CID65099485
Molecular FormulaC8H10F3NOS
Molecular Weight225.23 g/mol
Exact Mass225.04
IUPAC Name3-amino-1,1,1-trifluoro-2-(5-methylthiophen-3-yl)propan-2-ol
SMILESCc1cc(C(O)(CN)C(F)(F)F)cs1
InChIInChI=1S/C8H10F3NOS/c1-5-2-6(3-14-5)7(13,4-12)8(9,10)11/h2-3,13H,4,12H2,1H3
InChIKeyWEAZZEAPZDZCKU-UHFFFAOYSA-N
XLogP1.77
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.23
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1,1,1-trifluoro-2-(5-methylthiophen-3-yl)propan-2-ol?
The IUPAC name of 3-amino-1,1,1-trifluoro-2-(5-methylthiophen-3-yl)propan-2-ol (CID 65099485) is 3-amino-1,1,1-trifluoro-2-(5-methylthiophen-3-yl)propan-2-ol.
What is the SMILES notation for 3-amino-1,1,1-trifluoro-2-(5-methylthiophen-3-yl)propan-2-ol?
The canonical SMILES for 3-amino-1,1,1-trifluoro-2-(5-methylthiophen-3-yl)propan-2-ol is Cc1cc(C(O)(CN)C(F)(F)F)cs1.
What is the InChIKey of 3-amino-1,1,1-trifluoro-2-(5-methylthiophen-3-yl)propan-2-ol?
The InChIKey is WEAZZEAPZDZCKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NOS/c1-5-2-6(3-14-5)7(13,4-12)8(9,10)11/h2-3,13H,4,12H2,1H3.
What are the key properties of 3-amino-1,1,1-trifluoro-2-(5-methylthiophen-3-yl)propan-2-ol?
3-amino-1,1,1-trifluoro-2-(5-methylthiophen-3-yl)propan-2-ol has a molecular weight of 225.23 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1,1,1-trifluoro-2-(5-methylthiophen-3-yl)propan-2-ol is sourced from PubChem (CID 65099485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).