N-(oxolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide

C8H13F3N2O2 — CID 80713697

IUPACN-(oxolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)NC1CCOC1
InChIInChI=1S/C8H13F3N2O2/c9-8(10,11)5-12-3-7(14)13-6-1-2-15-4-6/h6,12H,1-5H2,(H,13,14)
InChIKeyQNSULHMWNWQYGB-UHFFFAOYSA-N
MW226.20 g/mol
LogP0.04
Rot. Bonds4

About N-(oxolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide

N-(oxolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 80713697) has the molecular formula C8H13F3N2O2 and a molecular weight of 226.20 g/mol. Its IUPAC name is N-(oxolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-(oxolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID80713697
Molecular FormulaC8H13F3N2O2
Molecular Weight226.20 g/mol
Exact Mass226.09
IUPAC NameN-(oxolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)NC1CCOC1
InChIInChI=1S/C8H13F3N2O2/c9-8(10,11)5-12-3-7(14)13-6-1-2-15-4-6/h6,12H,1-5H2,(H,13,14)
InChIKeyQNSULHMWNWQYGB-UHFFFAOYSA-N
XLogP0.04
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.20
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(oxan-4-yl)-2-(2,2,3,3-tetrafluoropropylamino)acetamide
CID 106291923
3,3-difluoro-N-(oxolan-3-yl)butanamide
CID 130702956
4-amino-4-methyl-N-(oxolan-3-yl)pentanamide
CID 80713467
oxolan-3-ylmethyl 2-(2,2,2-trifluoroethylamino)acetate
CID 79258784
N-(oxan-4-yl)-2-(oxan-4-ylmethylamino)acetamide
CID 63712370
2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-N-(oxan-4-yl)acetamide
CID 106255019
N-cycloheptyl-2-(oxolan-3-ylamino)acetamide
CID 80714047
2-(butan-2-ylamino)-N-(oxolan-3-yl)acetamide
CID 80713915
N-(2-methylcyclopropyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958386
3-methyl-N-[(3R)-oxolan-3-yl]butanamide
CID 176873242
N-[1-(2-methoxyacetyl)piperidin-4-yl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958326
2-(3,5-difluorophenyl)-N-[(3R)-oxolan-3-yl]acetamide
CID 99928750

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-(oxolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 80713697) is N-(oxolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-(oxolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-(oxolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide is O=C(CNCC(F)(F)F)NC1CCOC1.
What is the InChIKey of N-(oxolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is QNSULHMWNWQYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O2/c9-8(10,11)5-12-3-7(14)13-6-1-2-15-4-6/h6,12H,1-5H2,(H,13,14).
What are the key properties of N-(oxolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
N-(oxolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 226.20 g/mol, XLogP of 0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 80713697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).