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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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).