N-(1,3-dihydroxypropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide

C7H12F3NO4 — CID 103891078

IUPACN-(1,3-dihydroxypropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESO=C(COCC(F)(F)F)NC(CO)CO
InChIInChI=1S/C7H12F3NO4/c8-7(9,10)4-15-3-6(14)11-5(1-12)2-13/h5,12-13H,1-4H2,(H,11,14)
InChIKeyANWLMSNDTPCIMG-UHFFFAOYSA-N
MW231.17 g/mol
LogP-0.97
Rot. Bonds6

About N-(1,3-dihydroxypropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide

N-(1,3-dihydroxypropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 103891078) has the molecular formula C7H12F3NO4 and a molecular weight of 231.17 g/mol. Its IUPAC name is N-(1,3-dihydroxypropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-(1,3-dihydroxypropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID103891078
Molecular FormulaC7H12F3NO4
Molecular Weight231.17 g/mol
Exact Mass231.07
IUPAC NameN-(1,3-dihydroxypropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESO=C(COCC(F)(F)F)NC(CO)CO
InChIInChI=1S/C7H12F3NO4/c8-7(9,10)4-15-3-6(14)11-5(1-12)2-13/h5,12-13H,1-4H2,(H,11,14)
InChIKeyANWLMSNDTPCIMG-UHFFFAOYSA-N
XLogP-0.97
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.17
LogP ≤ 5-0.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroxypropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-(1,3-dihydroxypropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide (CID 103891078) is N-(1,3-dihydroxypropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-(1,3-dihydroxypropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-(1,3-dihydroxypropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide is O=C(COCC(F)(F)F)NC(CO)CO.
What is the InChIKey of N-(1,3-dihydroxypropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is ANWLMSNDTPCIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO4/c8-7(9,10)4-15-3-6(14)11-5(1-12)2-13/h5,12-13H,1-4H2,(H,11,14).
What are the key properties of N-(1,3-dihydroxypropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
N-(1,3-dihydroxypropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 231.17 g/mol, XLogP of -0.97, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydroxypropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 103891078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).