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

C8H10F3NOS — CID 130641136

IUPAC(2R)-2-amino-3,3,3-trifluoro-2-(5-methylthiophen-2-yl)propan-1-ol
SMILESCc1ccc([C@@](N)(CO)C(F)(F)F)s1
InChIInChI=1S/C8H10F3NOS/c1-5-2-3-6(14-5)7(12,4-13)8(9,10)11/h2-3,13H,4,12H2,1H3/t7-/m0/s1
InChIKeyFCVRFGZIRSYSLM-ZETCQYMHSA-N
MW225.23 g/mol
LogP1.77
Rot. Bonds2

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

(2R)-2-amino-3,3,3-trifluoro-2-(5-methylthiophen-2-yl)propan-1-ol (PubChem CID 130641136) has the molecular formula C8H10F3NOS and a molecular weight of 225.23 g/mol. Its IUPAC name is (2R)-2-amino-3,3,3-trifluoro-2-(5-methylthiophen-2-yl)propan-1-ol.

Molecular Properties

Compound Name(2R)-2-amino-3,3,3-trifluoro-2-(5-methylthiophen-2-yl)propan-1-ol
PubChem CID130641136
Molecular FormulaC8H10F3NOS
Molecular Weight225.23 g/mol
Exact Mass225.04
IUPAC Name(2R)-2-amino-3,3,3-trifluoro-2-(5-methylthiophen-2-yl)propan-1-ol
SMILESCc1ccc([C@@](N)(CO)C(F)(F)F)s1
InChIInChI=1S/C8H10F3NOS/c1-5-2-3-6(14-5)7(12,4-13)8(9,10)11/h2-3,13H,4,12H2,1H3/t7-/m0/s1
InChIKeyFCVRFGZIRSYSLM-ZETCQYMHSA-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 (2R)-2-amino-3,3,3-trifluoro-2-(5-methylthiophen-2-yl)propan-1-ol?
The IUPAC name of (2R)-2-amino-3,3,3-trifluoro-2-(5-methylthiophen-2-yl)propan-1-ol (CID 130641136) is (2R)-2-amino-3,3,3-trifluoro-2-(5-methylthiophen-2-yl)propan-1-ol.
What is the SMILES notation for (2R)-2-amino-3,3,3-trifluoro-2-(5-methylthiophen-2-yl)propan-1-ol?
The canonical SMILES for (2R)-2-amino-3,3,3-trifluoro-2-(5-methylthiophen-2-yl)propan-1-ol is Cc1ccc([C@@](N)(CO)C(F)(F)F)s1.
What is the InChIKey of (2R)-2-amino-3,3,3-trifluoro-2-(5-methylthiophen-2-yl)propan-1-ol?
The InChIKey is FCVRFGZIRSYSLM-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H10F3NOS/c1-5-2-3-6(14-5)7(12,4-13)8(9,10)11/h2-3,13H,4,12H2,1H3/t7-/m0/s1.
What are the key properties of (2R)-2-amino-3,3,3-trifluoro-2-(5-methylthiophen-2-yl)propan-1-ol?
(2R)-2-amino-3,3,3-trifluoro-2-(5-methylthiophen-2-yl)propan-1-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 (2R)-2-amino-3,3,3-trifluoro-2-(5-methylthiophen-2-yl)propan-1-ol is sourced from PubChem (CID 130641136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).