N-[(3-hydroxyoxolan-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide

C9H15F3N2O3 — CID 103849304

IUPACN-[(3-hydroxyoxolan-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)NCC1(O)CCOC1
InChIInChI=1S/C9H15F3N2O3/c10-9(11,12)5-13-3-7(15)14-4-8(16)1-2-17-6-8/h13,16H,1-6H2,(H,14,15)
InChIKeyRPPUTPXZWDIWPF-UHFFFAOYSA-N
MW256.22 g/mol
LogP-0.59
Rot. Bonds5

About N-[(3-hydroxyoxolan-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide

N-[(3-hydroxyoxolan-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 103849304) has the molecular formula C9H15F3N2O3 and a molecular weight of 256.22 g/mol. Its IUPAC name is N-[(3-hydroxyoxolan-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-[(3-hydroxyoxolan-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID103849304
Molecular FormulaC9H15F3N2O3
Molecular Weight256.22 g/mol
Exact Mass256.10
IUPAC NameN-[(3-hydroxyoxolan-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)NCC1(O)CCOC1
InChIInChI=1S/C9H15F3N2O3/c10-9(11,12)5-13-3-7(15)14-4-8(16)1-2-17-6-8/h13,16H,1-6H2,(H,14,15)
InChIKeyRPPUTPXZWDIWPF-UHFFFAOYSA-N
XLogP-0.59
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.22
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxyoxolan-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-[(3-hydroxyoxolan-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide (CID 103849304) is N-[(3-hydroxyoxolan-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-[(3-hydroxyoxolan-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-[(3-hydroxyoxolan-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide is O=C(CNCC(F)(F)F)NCC1(O)CCOC1.
What is the InChIKey of N-[(3-hydroxyoxolan-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is RPPUTPXZWDIWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O3/c10-9(11,12)5-13-3-7(15)14-4-8(16)1-2-17-6-8/h13,16H,1-6H2,(H,14,15).
What are the key properties of N-[(3-hydroxyoxolan-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
N-[(3-hydroxyoxolan-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 256.22 g/mol, XLogP of -0.59, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxyoxolan-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 103849304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).