(2R)-3,3,3-trifluoro-2-hydroxy-N-methyl-N-propan-2-ylpropanamide

C7H12F3NO2 — CID 170349155

IUPAC(2R)-3,3,3-trifluoro-2-hydroxy-N-methyl-N-propan-2-ylpropanamide
SMILESCC(C)N(C)C(=O)[C@@H](O)C(F)(F)F
InChIInChI=1S/C7H12F3NO2/c1-4(2)11(3)6(13)5(12)7(8,9)10/h4-5,12H,1-3H3/t5-/m1/s1
InChIKeyPHIXJSBNWIXFOD-RXMQYKEDSA-N
MW199.17 g/mol
LogP0.78
Rot. Bonds2

About (2R)-3,3,3-trifluoro-2-hydroxy-N-methyl-N-propan-2-ylpropanamide

(2R)-3,3,3-trifluoro-2-hydroxy-N-methyl-N-propan-2-ylpropanamide (PubChem CID 170349155) has the molecular formula C7H12F3NO2 and a molecular weight of 199.17 g/mol. Its IUPAC name is (2R)-3,3,3-trifluoro-2-hydroxy-N-methyl-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name(2R)-3,3,3-trifluoro-2-hydroxy-N-methyl-N-propan-2-ylpropanamide
PubChem CID170349155
Molecular FormulaC7H12F3NO2
Molecular Weight199.17 g/mol
Exact Mass199.08
IUPAC Name(2R)-3,3,3-trifluoro-2-hydroxy-N-methyl-N-propan-2-ylpropanamide
SMILESCC(C)N(C)C(=O)[C@@H](O)C(F)(F)F
InChIInChI=1S/C7H12F3NO2/c1-4(2)11(3)6(13)5(12)7(8,9)10/h4-5,12H,1-3H3/t5-/m1/s1
InChIKeyPHIXJSBNWIXFOD-RXMQYKEDSA-N
XLogP0.78
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-3,3,3-trifluoro-2-hydroxy-N-methyl-N-propan-2-ylpropanamide?
The IUPAC name of (2R)-3,3,3-trifluoro-2-hydroxy-N-methyl-N-propan-2-ylpropanamide (CID 170349155) is (2R)-3,3,3-trifluoro-2-hydroxy-N-methyl-N-propan-2-ylpropanamide.
What is the SMILES notation for (2R)-3,3,3-trifluoro-2-hydroxy-N-methyl-N-propan-2-ylpropanamide?
The canonical SMILES for (2R)-3,3,3-trifluoro-2-hydroxy-N-methyl-N-propan-2-ylpropanamide is CC(C)N(C)C(=O)[C@@H](O)C(F)(F)F.
What is the InChIKey of (2R)-3,3,3-trifluoro-2-hydroxy-N-methyl-N-propan-2-ylpropanamide?
The InChIKey is PHIXJSBNWIXFOD-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H12F3NO2/c1-4(2)11(3)6(13)5(12)7(8,9)10/h4-5,12H,1-3H3/t5-/m1/s1.
What are the key properties of (2R)-3,3,3-trifluoro-2-hydroxy-N-methyl-N-propan-2-ylpropanamide?
(2R)-3,3,3-trifluoro-2-hydroxy-N-methyl-N-propan-2-ylpropanamide has a molecular weight of 199.17 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3,3,3-trifluoro-2-hydroxy-N-methyl-N-propan-2-ylpropanamide is sourced from PubChem (CID 170349155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).