2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide

C7H12F3NO2 — CID 103723042

IUPAC2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
SMILESCC(C)C(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C7H12F3NO2/c1-4(2)6(13)11-3-5(12)7(8,9)10/h4-5,12H,3H2,1-2H3,(H,11,13)
InChIKeyQPEMCXSGLRGKQS-UHFFFAOYSA-N
MW199.17 g/mol
LogP0.68
Rot. Bonds3

About 2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide

2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide (PubChem CID 103723042) has the molecular formula C7H12F3NO2 and a molecular weight of 199.17 g/mol. Its IUPAC name is 2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
PubChem CID103723042
Molecular FormulaC7H12F3NO2
Molecular Weight199.17 g/mol
Exact Mass199.08
IUPAC Name2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
SMILESCC(C)C(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C7H12F3NO2/c1-4(2)6(13)11-3-5(12)7(8,9)10/h4-5,12H,3H2,1-2H3,(H,11,13)
InChIKeyQPEMCXSGLRGKQS-UHFFFAOYSA-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

2,2,2-trifluoro-N-[2-hydroxy-3-[(2,2,2-trifluoroacetyl)amino]propyl]acetamide
CID 361854
n-(2-Hydroxyethyl)-2-methylpropanamide
CID 221962
2-Hydroxy-n-(2-methylpropyl)propanamide
CID 223422
(R)-N-(2-Hydroxypropyl)acetamide
CID 13425477
N,N'-(2-hydroxy-1,3-propanediyl)bis(2,2,3,3,3-pentafluoropropanamide)
CID 2851781
(2R)-2-hydroxy-N-(2,2,2-trifluoroethyl)propanamide
CID 10942889
N-(1,3-dihydroxybutan-2-yl)-2,2,2-trifluoroacetamide
CID 15540004
N-(1,1,1-trifluoro-2-hydroxypentan-3-yl)acetamide
CID 22405555
N-(3-amino-2-hydroxypropyl)-2,2,2-trifluoroacetamide
CID 23170382
2,2-difluoro-N-(2-hydroxyethyl)propanamide
CID 26188900
N-((2R,3R)-1,3-Dihydroxybutan-2-YL)-2,2,2-trifluoroacetamide
CID 53662867
2-hydroxy-N-(2,2,2-trifluoroethyl)butanamide
CID 57208486

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide?
The IUPAC name of 2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide (CID 103723042) is 2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide.
What is the SMILES notation for 2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide?
The canonical SMILES for 2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide is CC(C)C(=O)NCC(O)C(F)(F)F.
What is the InChIKey of 2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide?
The InChIKey is QPEMCXSGLRGKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO2/c1-4(2)6(13)11-3-5(12)7(8,9)10/h4-5,12H,3H2,1-2H3,(H,11,13).
What are the key properties of 2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide?
2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide 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 2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide is sourced from PubChem (CID 103723042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).