N-[(2S,3R)-4,4,4-trifluoro-1-hydroxy-3-methylbutan-2-yl]acetamide

C7H12F3NO2 — CID 58879224

IUPACN-[(2S,3R)-4,4,4-trifluoro-1-hydroxy-3-methylbutan-2-yl]acetamide
SMILESCC(=O)N[C@H](CO)[C@@H](C)C(F)(F)F
InChIInChI=1S/C7H12F3NO2/c1-4(7(8,9)10)6(3-12)11-5(2)13/h4,6,12H,3H2,1-2H3,(H,11,13)/t4-,6-/m1/s1
InChIKeyDMEOMGJYDATEJX-INEUFUBQSA-N
MW199.17 g/mol
LogP0.68
Rot. Bonds3

About N-[(2S,3R)-4,4,4-trifluoro-1-hydroxy-3-methylbutan-2-yl]acetamide

N-[(2S,3R)-4,4,4-trifluoro-1-hydroxy-3-methylbutan-2-yl]acetamide (PubChem CID 58879224) has the molecular formula C7H12F3NO2 and a molecular weight of 199.17 g/mol. Its IUPAC name is N-[(2S,3R)-4,4,4-trifluoro-1-hydroxy-3-methylbutan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S,3R)-4,4,4-trifluoro-1-hydroxy-3-methylbutan-2-yl]acetamide
PubChem CID58879224
Molecular FormulaC7H12F3NO2
Molecular Weight199.17 g/mol
Exact Mass199.08
IUPAC NameN-[(2S,3R)-4,4,4-trifluoro-1-hydroxy-3-methylbutan-2-yl]acetamide
SMILESCC(=O)N[C@H](CO)[C@@H](C)C(F)(F)F
InChIInChI=1S/C7H12F3NO2/c1-4(7(8,9)10)6(3-12)11-5(2)13/h4,6,12H,3H2,1-2H3,(H,11,13)/t4-,6-/m1/s1
InChIKeyDMEOMGJYDATEJX-INEUFUBQSA-N
XLogP0.68
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Acetamide, 2,2,2-trifluoro-N-[(1S)-2-hydroxy-1-methylethyl]-
CID 13774518
2,2,2-trifluoro-N-[(2s,3s)-1-hydroxy-3-methylpentan-2-yl]-acetamide
CID 129774022
N-[(2R)-1-hydroxybutan-2-yl]acetamide
CID 12497496
2,2,2-trifluoro-N-(1-hydroxybutan-2-yl)acetamide
CID 3397679
2,2,2-Trifluoro-N-(1-hydroxypropan-2-yl)acetamide
CID 13774517
N-(1,3-dihydroxybutan-2-yl)-2,2,2-trifluoroacetamide
CID 15540004
2-Trifluoroacetylamino-1,3-propanediol
CID 15540009
N-(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)acetamide
CID 21743803
N-(1,1,1-trifluoro-2-hydroxypentan-3-yl)acetamide
CID 22405555
N-((2R,3R)-1,3-Dihydroxybutan-2-YL)-2,2,2-trifluoroacetamide
CID 53662867
N-[(2S,3S)-4,4,4-trifluoro-1-hydroxy-3-methylbutan-2-yl]acetamide
CID 58879225
2,2,2-trifluoro-N-(1-hydroxy-4-methylpentan-2-yl)acetamide
CID 61246688

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R)-4,4,4-trifluoro-1-hydroxy-3-methylbutan-2-yl]acetamide?
The IUPAC name of N-[(2S,3R)-4,4,4-trifluoro-1-hydroxy-3-methylbutan-2-yl]acetamide (CID 58879224) is N-[(2S,3R)-4,4,4-trifluoro-1-hydroxy-3-methylbutan-2-yl]acetamide.
What is the SMILES notation for N-[(2S,3R)-4,4,4-trifluoro-1-hydroxy-3-methylbutan-2-yl]acetamide?
The canonical SMILES for N-[(2S,3R)-4,4,4-trifluoro-1-hydroxy-3-methylbutan-2-yl]acetamide is CC(=O)N[C@H](CO)[C@@H](C)C(F)(F)F.
What is the InChIKey of N-[(2S,3R)-4,4,4-trifluoro-1-hydroxy-3-methylbutan-2-yl]acetamide?
The InChIKey is DMEOMGJYDATEJX-INEUFUBQSA-N. The full InChI is InChI=1S/C7H12F3NO2/c1-4(7(8,9)10)6(3-12)11-5(2)13/h4,6,12H,3H2,1-2H3,(H,11,13)/t4-,6-/m1/s1.
What are the key properties of N-[(2S,3R)-4,4,4-trifluoro-1-hydroxy-3-methylbutan-2-yl]acetamide?
N-[(2S,3R)-4,4,4-trifluoro-1-hydroxy-3-methylbutan-2-yl]acetamide has a molecular weight of 199.17 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R)-4,4,4-trifluoro-1-hydroxy-3-methylbutan-2-yl]acetamide is sourced from PubChem (CID 58879224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).