2-(2,3-dihydroxypropylamino)-N-(2,2,2-trifluoroethyl)acetamide

C7H13F3N2O3 — CID 66170998

IUPAC2-(2,3-dihydroxypropylamino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNCC(O)CO)NCC(F)(F)F
InChIInChI=1S/C7H13F3N2O3/c8-7(9,10)4-12-6(15)2-11-1-5(14)3-13/h5,11,13-14H,1-4H2,(H,12,15)
InChIKeyGPQDXTNCELDRHJ-UHFFFAOYSA-N
MW230.19 g/mol
LogP-1.39
Rot. Bonds6

About 2-(2,3-dihydroxypropylamino)-N-(2,2,2-trifluoroethyl)acetamide

2-(2,3-dihydroxypropylamino)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 66170998) has the molecular formula C7H13F3N2O3 and a molecular weight of 230.19 g/mol. Its IUPAC name is 2-(2,3-dihydroxypropylamino)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(2,3-dihydroxypropylamino)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID66170998
Molecular FormulaC7H13F3N2O3
Molecular Weight230.19 g/mol
Exact Mass230.09
IUPAC Name2-(2,3-dihydroxypropylamino)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNCC(O)CO)NCC(F)(F)F
InChIInChI=1S/C7H13F3N2O3/c8-7(9,10)4-12-6(15)2-11-1-5(14)3-13/h5,11,13-14H,1-4H2,(H,12,15)
InChIKeyGPQDXTNCELDRHJ-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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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroxypropylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(2,3-dihydroxypropylamino)-N-(2,2,2-trifluoroethyl)acetamide (CID 66170998) is 2-(2,3-dihydroxypropylamino)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(2,3-dihydroxypropylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(2,3-dihydroxypropylamino)-N-(2,2,2-trifluoroethyl)acetamide is O=C(CNCC(O)CO)NCC(F)(F)F.
What is the InChIKey of 2-(2,3-dihydroxypropylamino)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is GPQDXTNCELDRHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O3/c8-7(9,10)4-12-6(15)2-11-1-5(14)3-13/h5,11,13-14H,1-4H2,(H,12,15).
What are the key properties of 2-(2,3-dihydroxypropylamino)-N-(2,2,2-trifluoroethyl)acetamide?
2-(2,3-dihydroxypropylamino)-N-(2,2,2-trifluoroethyl)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 2-(2,3-dihydroxypropylamino)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 66170998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).