N-(2,3-dihydroxypropyl)-2-(2,2,2-trifluoroethylamino)acetamide

C7H13F3N2O3 — CID 79260585

IUPACN-(2,3-dihydroxypropyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)NCC(O)CO
InChIInChI=1S/C7H13F3N2O3/c8-7(9,10)4-11-2-6(15)12-1-5(14)3-13/h5,11,13-14H,1-4H2,(H,12,15)
InChIKeyLOPFXLGQXBXDMJ-UHFFFAOYSA-N
MW230.19 g/mol
LogP-1.39
Rot. Bonds6

About N-(2,3-dihydroxypropyl)-2-(2,2,2-trifluoroethylamino)acetamide

N-(2,3-dihydroxypropyl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 79260585) has the molecular formula C7H13F3N2O3 and a molecular weight of 230.19 g/mol. Its IUPAC name is N-(2,3-dihydroxypropyl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-(2,3-dihydroxypropyl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID79260585
Molecular FormulaC7H13F3N2O3
Molecular Weight230.19 g/mol
Exact Mass230.09
IUPAC NameN-(2,3-dihydroxypropyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)NCC(O)CO
InChIInChI=1S/C7H13F3N2O3/c8-7(9,10)4-11-2-6(15)12-1-5(14)3-13/h5,11,13-14H,1-4H2,(H,12,15)
InChIKeyLOPFXLGQXBXDMJ-UHFFFAOYSA-N
XLogP-1.39
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 5-1.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,2,2-trifluoroethylamino)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 103726464
N-(3,3-difluoro-2-hydroxypropyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 103770032
N-(2-methylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 79261008
N-ethyl-2-(2,2,2-trifluoroethylamino)acetamide
CID 28595910
N-[(2R)-1-hydroxypropan-2-yl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 107218513
N-(2,3-dihydroxypropyl)-2-(2-methoxyethylamino)acetamide
CID 79291770
N-[2-(dimethylamino)-4-methylpentyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78963004
N-(2-piperidin-1-ylpropyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78957846
N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 113235197
N-(4-hydroxy-2,2-dimethylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 113278483
N-(4-hydroxy-3-methylbutan-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 115770752
N-[(2R)-2,3-dihydroxypropyl]propanamide
CID 88953699

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxypropyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-(2,3-dihydroxypropyl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 79260585) is N-(2,3-dihydroxypropyl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-(2,3-dihydroxypropyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-(2,3-dihydroxypropyl)-2-(2,2,2-trifluoroethylamino)acetamide is O=C(CNCC(F)(F)F)NCC(O)CO.
What is the InChIKey of N-(2,3-dihydroxypropyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is LOPFXLGQXBXDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O3/c8-7(9,10)4-11-2-6(15)12-1-5(14)3-13/h5,11,13-14H,1-4H2,(H,12,15).
What are the key properties of N-(2,3-dihydroxypropyl)-2-(2,2,2-trifluoroethylamino)acetamide?
N-(2,3-dihydroxypropyl)-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 230.19 g/mol, XLogP of -1.39, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxypropyl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 79260585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).