(3R)-4,4,4-trifluoro-3-hydroxy-3-methyl-N-[(1S)-1-phenylethyl]butanamide

C13H16F3NO2 — CID 8865880

IUPAC(3R)-4,4,4-trifluoro-3-hydroxy-3-methyl-N-[(1S)-1-phenylethyl]butanamide
SMILESC[C@H](NC(=O)C[C@@](C)(O)C(F)(F)F)c1ccccc1
InChIInChI=1S/C13H16F3NO2/c1-9(10-6-4-3-5-7-10)17-11(18)8-12(2,19)13(14,15)16/h3-7,9,19H,8H2,1-2H3,(H,17,18)/t9-,12+/m0/s1
InChIKeyMJTYBALYCJYMAD-JOYOIKCWSA-N
MW275.27 g/mol
LogP2.57
Rot. Bonds4

About (3R)-4,4,4-trifluoro-3-hydroxy-3-methyl-N-[(1S)-1-phenylethyl]butanamide

(3R)-4,4,4-trifluoro-3-hydroxy-3-methyl-N-[(1S)-1-phenylethyl]butanamide (PubChem CID 8865880) has the molecular formula C13H16F3NO2 and a molecular weight of 275.27 g/mol. Its IUPAC name is (3R)-4,4,4-trifluoro-3-hydroxy-3-methyl-N-[(1S)-1-phenylethyl]butanamide.

Molecular Properties

Compound Name(3R)-4,4,4-trifluoro-3-hydroxy-3-methyl-N-[(1S)-1-phenylethyl]butanamide
PubChem CID8865880
Molecular FormulaC13H16F3NO2
Molecular Weight275.27 g/mol
Exact Mass275.11
IUPAC Name(3R)-4,4,4-trifluoro-3-hydroxy-3-methyl-N-[(1S)-1-phenylethyl]butanamide
SMILESC[C@H](NC(=O)C[C@@](C)(O)C(F)(F)F)c1ccccc1
InChIInChI=1S/C13H16F3NO2/c1-9(10-6-4-3-5-7-10)17-11(18)8-12(2,19)13(14,15)16/h3-7,9,19H,8H2,1-2H3,(H,17,18)/t9-,12+/m0/s1
InChIKeyMJTYBALYCJYMAD-JOYOIKCWSA-N
XLogP2.57
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dimethyl-N-(1-phenylethyl)butanamide
CID 5156149
(3S)-3,5-dihydroxy-N-[(1S)-1-phenylethyl]-3-(trifluoromethyl)pentanamide
CID 23655658
(3R)-3,5-dihydroxy-N-[(1S)-1-phenylethyl]-3-(trifluoromethyl)pentanamide
CID 23655659
2-fluoro-N-(1-phenylethyl)acetamide
CID 10329953
2,2-diethyl-4-oxo-4-[[(1R)-1-phenylethyl]amino]butanoic acid
CID 78948228
(3S)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-[(1R)-1-phenylethyl]butanamide
CID 40795474
2,2,3,3,3-pentafluoro-N-[(1S)-1-phenylethyl]propanamide
CID 14877204
2-anilino-N-(1-phenylethyl)acetamide
CID 54810260
2,2,3,3,3-pentafluoro-N-(1-phenylethyl)propanamide
CID 4153379
N-[(1R)-1-phenylethyl]-2-sulfanylacetamide
CID 130013972
N-[(1R)-1-phenylethyl]-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 7046108
2-amino-N-(1-phenylethyl)acetamide
CID 10631169

Frequently Asked Questions

What is the IUPAC name of (3R)-4,4,4-trifluoro-3-hydroxy-3-methyl-N-[(1S)-1-phenylethyl]butanamide?
The IUPAC name of (3R)-4,4,4-trifluoro-3-hydroxy-3-methyl-N-[(1S)-1-phenylethyl]butanamide (CID 8865880) is (3R)-4,4,4-trifluoro-3-hydroxy-3-methyl-N-[(1S)-1-phenylethyl]butanamide.
What is the SMILES notation for (3R)-4,4,4-trifluoro-3-hydroxy-3-methyl-N-[(1S)-1-phenylethyl]butanamide?
The canonical SMILES for (3R)-4,4,4-trifluoro-3-hydroxy-3-methyl-N-[(1S)-1-phenylethyl]butanamide is C[C@H](NC(=O)C[C@@](C)(O)C(F)(F)F)c1ccccc1.
What is the InChIKey of (3R)-4,4,4-trifluoro-3-hydroxy-3-methyl-N-[(1S)-1-phenylethyl]butanamide?
The InChIKey is MJTYBALYCJYMAD-JOYOIKCWSA-N. The full InChI is InChI=1S/C13H16F3NO2/c1-9(10-6-4-3-5-7-10)17-11(18)8-12(2,19)13(14,15)16/h3-7,9,19H,8H2,1-2H3,(H,17,18)/t9-,12+/m0/s1.
What are the key properties of (3R)-4,4,4-trifluoro-3-hydroxy-3-methyl-N-[(1S)-1-phenylethyl]butanamide?
(3R)-4,4,4-trifluoro-3-hydroxy-3-methyl-N-[(1S)-1-phenylethyl]butanamide has a molecular weight of 275.27 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4,4,4-trifluoro-3-hydroxy-3-methyl-N-[(1S)-1-phenylethyl]butanamide is sourced from PubChem (CID 8865880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).