4-hydroxy-N-methyl-N-(2,2,2-trifluoroethyl)butanamide

C7H12F3NO2 — CID 79204250

IUPAC4-hydroxy-N-methyl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCN(CC(F)(F)F)C(=O)CCCO
InChIInChI=1S/C7H12F3NO2/c1-11(5-7(8,9)10)6(13)3-2-4-12/h12H,2-5H2,1H3
InChIKeyDHROQNJXSBUOHC-UHFFFAOYSA-N
MW199.17 g/mol
LogP0.78
Rot. Bonds4

About 4-hydroxy-N-methyl-N-(2,2,2-trifluoroethyl)butanamide

4-hydroxy-N-methyl-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 79204250) has the molecular formula C7H12F3NO2 and a molecular weight of 199.17 g/mol. Its IUPAC name is 4-hydroxy-N-methyl-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound Name4-hydroxy-N-methyl-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID79204250
Molecular FormulaC7H12F3NO2
Molecular Weight199.17 g/mol
Exact Mass199.08
IUPAC Name4-hydroxy-N-methyl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCN(CC(F)(F)F)C(=O)CCCO
InChIInChI=1S/C7H12F3NO2/c1-11(5-7(8,9)10)6(13)3-2-4-12/h12H,2-5H2,1H3
InChIKeyDHROQNJXSBUOHC-UHFFFAOYSA-N
XLogP0.78
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,3,3,4,4,4-Heptafluoro-N-(2-hydroxyethyl)-N-methylbutanamide
CID 91737616
Butanamide, 4-hydroxy-N-(2-hydroxyethyl)-N-methyl-
CID 106524
4-(N-Methyl-trifluoroacetamido)-1-butanol
CID 10512190
N-methyl-N-(3,3,3-trifluoro-1-hydroxypropyl)acetamide
CID 25029674
N-(3-fluorobutan-2-yl)-4-hydroxy-N-propylbutanamide
CID 87922265
2,2,2-trifluoro-N-(1-hydroxybutyl)-N-methylacetamide
CID 88174553
(2S)-2-fluoro-4-hydroxy-N,N-dimethylbutanamide
CID 171543133
(2R)-2-fluoro-4-hydroxy-N,N-dimethylbutanamide
CID 171543379
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanamide
CID 64590916
N-ethyl-4,4,4-trifluoro-N-(2-hydroxyethyl)butanamide
CID 65710972
4,4,4-trifluoro-N-(2-hydroxyethyl)-N-methylbutanamide
CID 65710973
4-hydroxy-N-(3,3,3-trifluoropropyl)butanamide
CID 79191895

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-methyl-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of 4-hydroxy-N-methyl-N-(2,2,2-trifluoroethyl)butanamide (CID 79204250) is 4-hydroxy-N-methyl-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for 4-hydroxy-N-methyl-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for 4-hydroxy-N-methyl-N-(2,2,2-trifluoroethyl)butanamide is CN(CC(F)(F)F)C(=O)CCCO.
What is the InChIKey of 4-hydroxy-N-methyl-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is DHROQNJXSBUOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO2/c1-11(5-7(8,9)10)6(13)3-2-4-12/h12H,2-5H2,1H3.
What are the key properties of 4-hydroxy-N-methyl-N-(2,2,2-trifluoroethyl)butanamide?
4-hydroxy-N-methyl-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 199.17 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-methyl-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 79204250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).