2-acetamido-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide

C7H11F3N2O3 — CID 103726360

IUPAC2-acetamido-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
SMILESCC(=O)NCC(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C7H11F3N2O3/c1-4(13)11-3-6(15)12-2-5(14)7(8,9)10/h5,14H,2-3H2,1H3,(H,11,13)(H,12,15)
InChIKeyBBMNGLHLMVAKAU-UHFFFAOYSA-N
MW228.17 g/mol
LogP-0.84
Rot. Bonds4

About 2-acetamido-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide

2-acetamido-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide (PubChem CID 103726360) has the molecular formula C7H11F3N2O3 and a molecular weight of 228.17 g/mol. Its IUPAC name is 2-acetamido-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide.

Molecular Properties

Compound Name2-acetamido-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
PubChem CID103726360
Molecular FormulaC7H11F3N2O3
Molecular Weight228.17 g/mol
Exact Mass228.07
IUPAC Name2-acetamido-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
SMILESCC(=O)NCC(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C7H11F3N2O3/c1-4(13)11-3-6(15)12-2-5(14)7(8,9)10/h5,14H,2-3H2,1H3,(H,11,13)(H,12,15)
InChIKeyBBMNGLHLMVAKAU-UHFFFAOYSA-N
XLogP-0.84
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.17
LogP ≤ 5-0.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-N-[2-oxo-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]ethyl]propanamide
CID 103723244
2-(2,2,2-trifluoroethylamino)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 103726464
2-chloro-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 103881683
2-acetamido-N-(3-ethyl-2-hydroxypentyl)acetamide
CID 103658528
3-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
CID 103726141
2-[[(2-acetamidoacetyl)amino]methyl]-3-methylbutanoic acid
CID 65215296
2-bromo-N-[2-oxo-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]ethyl]benzamide
CID 103726174
2-amino-3,3,3-trifluoro-2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
CID 114093542
(E)-N-(3,3,3-trifluoro-2-hydroxypropyl)but-2-enamide
CID 103755858
2-cycloheptyl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 113252022
N-(2,3,3,3-tetrafluoropropyl)acetamide
CID 130011160
2-acetamido-N-[2-oxo-2-[(2,2,2-trifluoro-1-phenylethyl)amino]ethyl]acetamide
CID 51094643

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The IUPAC name of 2-acetamido-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide (CID 103726360) is 2-acetamido-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide.
What is the SMILES notation for 2-acetamido-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The canonical SMILES for 2-acetamido-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide is CC(=O)NCC(=O)NCC(O)C(F)(F)F.
What is the InChIKey of 2-acetamido-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The InChIKey is BBMNGLHLMVAKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O3/c1-4(13)11-3-6(15)12-2-5(14)7(8,9)10/h5,14H,2-3H2,1H3,(H,11,13)(H,12,15).
What are the key properties of 2-acetamido-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
2-acetamido-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide has a molecular weight of 228.17 g/mol, XLogP of -0.84, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide is sourced from PubChem (CID 103726360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).