2-methyl-N-(2,2,2-trifluoro-1-hydroxyethyl)propanamide

C6H10F3NO2 — CID 15438826

IUPAC2-methyl-N-(2,2,2-trifluoro-1-hydroxyethyl)propanamide
SMILESCC(C)C(=O)NC(O)C(F)(F)F
InChIInChI=1S/C6H10F3NO2/c1-3(2)4(11)10-5(12)6(7,8)9/h3,5,12H,1-2H3,(H,10,11)
InChIKeyOWAOHQANKSKZFL-UHFFFAOYSA-N
MW185.14 g/mol
LogP0.64
Rot. Bonds2

About 2-methyl-N-(2,2,2-trifluoro-1-hydroxyethyl)propanamide

2-methyl-N-(2,2,2-trifluoro-1-hydroxyethyl)propanamide (PubChem CID 15438826) has the molecular formula C6H10F3NO2 and a molecular weight of 185.14 g/mol. Its IUPAC name is 2-methyl-N-(2,2,2-trifluoro-1-hydroxyethyl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(2,2,2-trifluoro-1-hydroxyethyl)propanamide
PubChem CID15438826
Molecular FormulaC6H10F3NO2
Molecular Weight185.14 g/mol
Exact Mass185.07
IUPAC Name2-methyl-N-(2,2,2-trifluoro-1-hydroxyethyl)propanamide
SMILESCC(C)C(=O)NC(O)C(F)(F)F
InChIInChI=1S/C6H10F3NO2/c1-3(2)4(11)10-5(12)6(7,8)9/h3,5,12H,1-2H3,(H,10,11)
InChIKeyOWAOHQANKSKZFL-UHFFFAOYSA-N
XLogP0.64
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.14
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-(1,1,1-trifluoro-3-methylbutan-2-yl)propanamide
CID 175635601
1-tert-butyl-3-(2,2,2-trifluoro-1-hydroxyethyl)urea
CID 15438822
N-(1-hydroxy-2-methylpropyl)-2-methylpropanamide
CID 88555810
N-[(2S)-3,3-dimethylbutan-2-yl]-2-methylpropanamide
CID 153456545
3,3,3-trifluoro-2-methyl-N-propan-2-ylpropanamide
CID 130717889
(2R)-3,3,3-trifluoro-2-methyl-N-propan-2-ylpropanamide
CID 138551992
N-tert-butyl-3-hydroxy-2-(2-methylpropanoylamino)butanamide
CID 164772716
N-tert-butyl-2-methylpropanamide;ethane
CID 143588307
2-methyl-N-[(2R)-3-oxobutan-2-yl]propanamide
CID 90262242
butyl N-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]carbamate
CID 163133686
N-(2,2-difluoropropyl)-2-methylpropanamide
CID 130436254
(2S)-3,3-dimethyl-2-(2-methylpropanoylamino)butanoic acid
CID 61143223

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2,2,2-trifluoro-1-hydroxyethyl)propanamide?
The IUPAC name of 2-methyl-N-(2,2,2-trifluoro-1-hydroxyethyl)propanamide (CID 15438826) is 2-methyl-N-(2,2,2-trifluoro-1-hydroxyethyl)propanamide.
What is the SMILES notation for 2-methyl-N-(2,2,2-trifluoro-1-hydroxyethyl)propanamide?
The canonical SMILES for 2-methyl-N-(2,2,2-trifluoro-1-hydroxyethyl)propanamide is CC(C)C(=O)NC(O)C(F)(F)F.
What is the InChIKey of 2-methyl-N-(2,2,2-trifluoro-1-hydroxyethyl)propanamide?
The InChIKey is OWAOHQANKSKZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO2/c1-3(2)4(11)10-5(12)6(7,8)9/h3,5,12H,1-2H3,(H,10,11).
What are the key properties of 2-methyl-N-(2,2,2-trifluoro-1-hydroxyethyl)propanamide?
2-methyl-N-(2,2,2-trifluoro-1-hydroxyethyl)propanamide has a molecular weight of 185.14 g/mol, XLogP of 0.64, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2,2,2-trifluoro-1-hydroxyethyl)propanamide is sourced from PubChem (CID 15438826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).