3-hydroxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide

C6H10F3NO2 — CID 167150018

IUPAC3-hydroxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(CO)C(=O)NCC(F)(F)F
InChIInChI=1S/C6H10F3NO2/c1-4(2-11)5(12)10-3-6(7,8)9/h4,11H,2-3H2,1H3,(H,10,12)
InChIKeyIUJXOJSVFSNQNC-UHFFFAOYSA-N
MW185.14 g/mol
LogP0.29
Rot. Bonds3

About 3-hydroxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide

3-hydroxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 167150018) has the molecular formula C6H10F3NO2 and a molecular weight of 185.14 g/mol. Its IUPAC name is 3-hydroxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name3-hydroxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID167150018
Molecular FormulaC6H10F3NO2
Molecular Weight185.14 g/mol
Exact Mass185.07
IUPAC Name3-hydroxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(CO)C(=O)NCC(F)(F)F
InChIInChI=1S/C6H10F3NO2/c1-4(2-11)5(12)10-3-6(7,8)9/h4,11H,2-3H2,1H3,(H,10,12)
InChIKeyIUJXOJSVFSNQNC-UHFFFAOYSA-N
XLogP0.29
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.14
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 3-hydroxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide (CID 167150018) is 3-hydroxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 3-hydroxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 3-hydroxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide is CC(CO)C(=O)NCC(F)(F)F.
What is the InChIKey of 3-hydroxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is IUJXOJSVFSNQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO2/c1-4(2-11)5(12)10-3-6(7,8)9/h4,11H,2-3H2,1H3,(H,10,12).
What are the key properties of 3-hydroxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide?
3-hydroxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 185.14 g/mol, XLogP of 0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 167150018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).