(4R)-5,5,5-trifluoro-4-[[(1R)-2-hydroxy-1-phenylethyl]amino]pentan-2-one

C13H16F3NO2 — CID 24950981

IUPAC(4R)-5,5,5-trifluoro-4-[[(1R)-2-hydroxy-1-phenylethyl]amino]pentan-2-one
SMILESCC(=O)C[C@@H](N[C@@H](CO)c1ccccc1)C(F)(F)F
InChIInChI=1S/C13H16F3NO2/c1-9(19)7-12(13(14,15)16)17-11(8-18)10-5-3-2-4-6-10/h2-6,11-12,17-18H,7-8H2,1H3/t11-,12+/m0/s1
InChIKeyURAZREFLHNZVBS-NWDGAFQWSA-N
MW275.27 g/mol
LogP2.22
Rot. Bonds6

About (4R)-5,5,5-trifluoro-4-[[(1R)-2-hydroxy-1-phenylethyl]amino]pentan-2-one

(4R)-5,5,5-trifluoro-4-[[(1R)-2-hydroxy-1-phenylethyl]amino]pentan-2-one (PubChem CID 24950981) has the molecular formula C13H16F3NO2 and a molecular weight of 275.27 g/mol. Its IUPAC name is (4R)-5,5,5-trifluoro-4-[[(1R)-2-hydroxy-1-phenylethyl]amino]pentan-2-one.

Molecular Properties

Compound Name(4R)-5,5,5-trifluoro-4-[[(1R)-2-hydroxy-1-phenylethyl]amino]pentan-2-one
PubChem CID24950981
Molecular FormulaC13H16F3NO2
Molecular Weight275.27 g/mol
Exact Mass275.11
IUPAC Name(4R)-5,5,5-trifluoro-4-[[(1R)-2-hydroxy-1-phenylethyl]amino]pentan-2-one
SMILESCC(=O)C[C@@H](N[C@@H](CO)c1ccccc1)C(F)(F)F
InChIInChI=1S/C13H16F3NO2/c1-9(19)7-12(13(14,15)16)17-11(8-18)10-5-3-2-4-6-10/h2-6,11-12,17-18H,7-8H2,1H3/t11-,12+/m0/s1
InChIKeyURAZREFLHNZVBS-NWDGAFQWSA-N
XLogP2.22
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (4R)-5,5,5-trifluoro-4-[[(1R)-2-hydroxy-1-phenylethyl]amino]pentan-2-one with MolForge

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Related Compounds

2-(Benzylamino)-2-phenylethan-1-ol
CID 234875
N-(2-hydroxy-1-phenylethyl)acetamide
CID 15619841
N-(2-hydroxy-1-phenylethyl)-2,2-dimethylbutanamide
CID 55157876
(R)-(-)-N-Benzyl-2-phenylglycinol
CID 10656907
beta-(Methylamino)benzeneethanol
CID 12247455
N-[(2S,3S)-4,4,4-trifluoro-3-hydroxy-1-phenylbutan-2-yl]acetamide
CID 23586202
N-[(1R)-2-hydroxy-1-phenylethyl]octanamide
CID 44382914
(S)-2-(Methylamino)-2-phenylethanol
CID 10057687
2-(Ethylamino)-2-phenylethan-1-ol
CID 13278150
(S)-2-(Methylamino)-2-phenylethanol hydrochloride
CID 91844858
(2S)-2-[2-[[(1S)-2-hydroxy-1-phenylethyl]amino]ethylamino]butan-1-ol;dihydrochloride
CID 90665036
(9Z,12Z)-N-(2-hydroxy-1-phenylethyl)octadeca-9,12-dienamide
CID 162643233

Frequently Asked Questions

What is the IUPAC name of (4R)-5,5,5-trifluoro-4-[[(1R)-2-hydroxy-1-phenylethyl]amino]pentan-2-one?
The IUPAC name of (4R)-5,5,5-trifluoro-4-[[(1R)-2-hydroxy-1-phenylethyl]amino]pentan-2-one (CID 24950981) is (4R)-5,5,5-trifluoro-4-[[(1R)-2-hydroxy-1-phenylethyl]amino]pentan-2-one.
What is the SMILES notation for (4R)-5,5,5-trifluoro-4-[[(1R)-2-hydroxy-1-phenylethyl]amino]pentan-2-one?
The canonical SMILES for (4R)-5,5,5-trifluoro-4-[[(1R)-2-hydroxy-1-phenylethyl]amino]pentan-2-one is CC(=O)C[C@@H](N[C@@H](CO)c1ccccc1)C(F)(F)F.
What is the InChIKey of (4R)-5,5,5-trifluoro-4-[[(1R)-2-hydroxy-1-phenylethyl]amino]pentan-2-one?
The InChIKey is URAZREFLHNZVBS-NWDGAFQWSA-N. The full InChI is InChI=1S/C13H16F3NO2/c1-9(19)7-12(13(14,15)16)17-11(8-18)10-5-3-2-4-6-10/h2-6,11-12,17-18H,7-8H2,1H3/t11-,12+/m0/s1.
What are the key properties of (4R)-5,5,5-trifluoro-4-[[(1R)-2-hydroxy-1-phenylethyl]amino]pentan-2-one?
(4R)-5,5,5-trifluoro-4-[[(1R)-2-hydroxy-1-phenylethyl]amino]pentan-2-one has a molecular weight of 275.27 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5,5,5-trifluoro-4-[[(1R)-2-hydroxy-1-phenylethyl]amino]pentan-2-one is sourced from PubChem (CID 24950981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).