2-[(3-hydroxyoxolan-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide

C10H17F3N2O3 — CID 106100461

IUPAC2-[(3-hydroxyoxolan-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(NCC1(O)CCOC1)C(=O)NCC(F)(F)F
InChIInChI=1S/C10H17F3N2O3/c1-7(8(16)15-5-10(11,12)13)14-4-9(17)2-3-18-6-9/h7,14,17H,2-6H2,1H3,(H,15,16)
InChIKeyZEEXHQTXSHUUPI-UHFFFAOYSA-N
MW270.25 g/mol
LogP-0.21
Rot. Bonds5

About 2-[(3-hydroxyoxolan-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide

2-[(3-hydroxyoxolan-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 106100461) has the molecular formula C10H17F3N2O3 and a molecular weight of 270.25 g/mol. Its IUPAC name is 2-[(3-hydroxyoxolan-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-[(3-hydroxyoxolan-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID106100461
Molecular FormulaC10H17F3N2O3
Molecular Weight270.25 g/mol
Exact Mass270.12
IUPAC Name2-[(3-hydroxyoxolan-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(NCC1(O)CCOC1)C(=O)NCC(F)(F)F
InChIInChI=1S/C10H17F3N2O3/c1-7(8(16)15-5-10(11,12)13)14-4-9(17)2-3-18-6-9/h7,14,17H,2-6H2,1H3,(H,15,16)
InChIKeyZEEXHQTXSHUUPI-UHFFFAOYSA-N
XLogP-0.21
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-4-methoxy-2-methylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 103712585
3,3,3-trifluoro-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
CID 103848696
4,4,4-trifluoro-N-[(3-hydroxyoxolan-3-yl)methyl]butanamide
CID 103849084
N-[(3-hydroxyoxolan-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 103849304
2-[(3-methoxyoxolan-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 104704812
N-[(3-methoxyoxolan-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 104709176
2-[(3-hydroxyoxolan-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 106100664
2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 106100937
2-amino-3,3,3-trifluoro-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpropanamide
CID 106101458
2-amino-3,3,3-trifluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-methylpropanamide
CID 106101722
2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 106254218
2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 106255580

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxyoxolan-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-[(3-hydroxyoxolan-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide (CID 106100461) is 2-[(3-hydroxyoxolan-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-[(3-hydroxyoxolan-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-[(3-hydroxyoxolan-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide is CC(NCC1(O)CCOC1)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-[(3-hydroxyoxolan-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is ZEEXHQTXSHUUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O3/c1-7(8(16)15-5-10(11,12)13)14-4-9(17)2-3-18-6-9/h7,14,17H,2-6H2,1H3,(H,15,16).
What are the key properties of 2-[(3-hydroxyoxolan-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide?
2-[(3-hydroxyoxolan-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 270.25 g/mol, XLogP of -0.21, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxyoxolan-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 106100461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).