(2R)-3,3,3-trifluoro-2-hydroxy-N-methyl-2-phenyl-N-propylpropanamide

C13H16F3NO2 — CID 155263043

IUPAC(2R)-3,3,3-trifluoro-2-hydroxy-N-methyl-2-phenyl-N-propylpropanamide
SMILESCCCN(C)C(=O)[C@](O)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C13H16F3NO2/c1-3-9-17(2)11(18)12(19,13(14,15)16)10-7-5-4-6-8-10/h4-8,19H,3,9H2,1-2H3/t12-/m1/s1
InChIKeyQTGSONZHEQBUKX-GFCCVEGCSA-N
MW275.27 g/mol
LogP2.30
Rot. Bonds4

About (2R)-3,3,3-trifluoro-2-hydroxy-N-methyl-2-phenyl-N-propylpropanamide

(2R)-3,3,3-trifluoro-2-hydroxy-N-methyl-2-phenyl-N-propylpropanamide (PubChem CID 155263043) has the molecular formula C13H16F3NO2 and a molecular weight of 275.27 g/mol. Its IUPAC name is (2R)-3,3,3-trifluoro-2-hydroxy-N-methyl-2-phenyl-N-propylpropanamide.

Molecular Properties

Compound Name(2R)-3,3,3-trifluoro-2-hydroxy-N-methyl-2-phenyl-N-propylpropanamide
PubChem CID155263043
Molecular FormulaC13H16F3NO2
Molecular Weight275.27 g/mol
Exact Mass275.11
IUPAC Name(2R)-3,3,3-trifluoro-2-hydroxy-N-methyl-2-phenyl-N-propylpropanamide
SMILESCCCN(C)C(=O)[C@](O)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C13H16F3NO2/c1-3-9-17(2)11(18)12(19,13(14,15)16)10-7-5-4-6-8-10/h4-8,19H,3,9H2,1-2H3/t12-/m1/s1
InChIKeyQTGSONZHEQBUKX-GFCCVEGCSA-N
XLogP2.30
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.30
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-2-phenyl-N-propylpropanamide?
The IUPAC name of (2R)-3,3,3-trifluoro-2-hydroxy-N-methyl-2-phenyl-N-propylpropanamide (CID 155263043) is (2R)-3,3,3-trifluoro-2-hydroxy-N-methyl-2-phenyl-N-propylpropanamide.
What is the SMILES notation for (2R)-3,3,3-trifluoro-2-hydroxy-N-methyl-2-phenyl-N-propylpropanamide?
The canonical SMILES for (2R)-3,3,3-trifluoro-2-hydroxy-N-methyl-2-phenyl-N-propylpropanamide is CCCN(C)C(=O)[C@](O)(c1ccccc1)C(F)(F)F.
What is the InChIKey of (2R)-3,3,3-trifluoro-2-hydroxy-N-methyl-2-phenyl-N-propylpropanamide?
The InChIKey is QTGSONZHEQBUKX-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H16F3NO2/c1-3-9-17(2)11(18)12(19,13(14,15)16)10-7-5-4-6-8-10/h4-8,19H,3,9H2,1-2H3/t12-/m1/s1.
What are the key properties of (2R)-3,3,3-trifluoro-2-hydroxy-N-methyl-2-phenyl-N-propylpropanamide?
(2R)-3,3,3-trifluoro-2-hydroxy-N-methyl-2-phenyl-N-propylpropanamide has a molecular weight of 275.27 g/mol, XLogP of 2.30, 4 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-2-phenyl-N-propylpropanamide is sourced from PubChem (CID 155263043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).