(5R)-6,6,6-trifluoro-5-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2,2-dimethylhexan-3-one

C16H22F3NO2 — CID 11573273

IUPAC(5R)-6,6,6-trifluoro-5-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2,2-dimethylhexan-3-one
SMILESCC(C)(C)C(=O)C[C@@H](N[C@@H](CO)c1ccccc1)C(F)(F)F
InChIInChI=1S/C16H22F3NO2/c1-15(2,3)14(22)9-13(16(17,18)19)20-12(10-21)11-7-5-4-6-8-11/h4-8,12-13,20-21H,9-10H2,1-3H3/t12-,13+/m0/s1
InChIKeyWOBJPXSIQFVWEK-QWHCGFSZSA-N
MW317.35 g/mol
LogP3.25
Rot. Bonds6

About (5R)-6,6,6-trifluoro-5-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2,2-dimethylhexan-3-one

(5R)-6,6,6-trifluoro-5-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2,2-dimethylhexan-3-one (PubChem CID 11573273) has the molecular formula C16H22F3NO2 and a molecular weight of 317.35 g/mol. Its IUPAC name is (5R)-6,6,6-trifluoro-5-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2,2-dimethylhexan-3-one.

Molecular Properties

Compound Name(5R)-6,6,6-trifluoro-5-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2,2-dimethylhexan-3-one
PubChem CID11573273
Molecular FormulaC16H22F3NO2
Molecular Weight317.35 g/mol
Exact Mass317.16
IUPAC Name(5R)-6,6,6-trifluoro-5-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2,2-dimethylhexan-3-one
SMILESCC(C)(C)C(=O)C[C@@H](N[C@@H](CO)c1ccccc1)C(F)(F)F
InChIInChI=1S/C16H22F3NO2/c1-15(2,3)14(22)9-13(16(17,18)19)20-12(10-21)11-7-5-4-6-8-11/h4-8,12-13,20-21H,9-10H2,1-3H3/t12-,13+/m0/s1
InChIKeyWOBJPXSIQFVWEK-QWHCGFSZSA-N
XLogP3.25
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (5R)-6,6,6-trifluoro-5-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2,2-dimethylhexan-3-one with MolForge

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Related Compounds

N-(2-hydroxy-1-phenylethyl)acetamide
CID 15619841
N-(2-hydroxy-1-phenylethyl)-2,2-dimethylbutanamide
CID 55157876
N-[(1R)-2-hydroxy-1-phenylethyl]octanamide
CID 44382914
2-(Ethylamino)-2-phenylethan-1-ol
CID 13278150
(9Z,12Z)-N-(2-hydroxy-1-phenylethyl)octadeca-9,12-dienamide
CID 162643233
ethyl (2S)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2-(trifluoromethyl)pent-4-enoate
CID 15953650
(2R)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2-(trifluoromethyl)hexan-1-ol
CID 122585267
N-[(1R)-2-Hydroxy-1-phenylethyl]acetamide
CID 7010612
US20250268854, Example 18
CID 167496462
US20250268854, Example 16
CID 167496476
US20250268854, Example 19
CID 171573411
US20250268854, Example 17
CID 171573419

Frequently Asked Questions

What is the IUPAC name of (5R)-6,6,6-trifluoro-5-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2,2-dimethylhexan-3-one?
The IUPAC name of (5R)-6,6,6-trifluoro-5-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2,2-dimethylhexan-3-one (CID 11573273) is (5R)-6,6,6-trifluoro-5-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2,2-dimethylhexan-3-one.
What is the SMILES notation for (5R)-6,6,6-trifluoro-5-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2,2-dimethylhexan-3-one?
The canonical SMILES for (5R)-6,6,6-trifluoro-5-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2,2-dimethylhexan-3-one is CC(C)(C)C(=O)C[C@@H](N[C@@H](CO)c1ccccc1)C(F)(F)F.
What is the InChIKey of (5R)-6,6,6-trifluoro-5-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2,2-dimethylhexan-3-one?
The InChIKey is WOBJPXSIQFVWEK-QWHCGFSZSA-N. The full InChI is InChI=1S/C16H22F3NO2/c1-15(2,3)14(22)9-13(16(17,18)19)20-12(10-21)11-7-5-4-6-8-11/h4-8,12-13,20-21H,9-10H2,1-3H3/t12-,13+/m0/s1.
What are the key properties of (5R)-6,6,6-trifluoro-5-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2,2-dimethylhexan-3-one?
(5R)-6,6,6-trifluoro-5-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2,2-dimethylhexan-3-one has a molecular weight of 317.35 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-6,6,6-trifluoro-5-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2,2-dimethylhexan-3-one is sourced from PubChem (CID 11573273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).