N-(oxolan-2-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide

C9H15F3N2O2 — CID 78914767

IUPACN-(oxolan-2-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)NCC1CCCO1
InChIInChI=1S/C9H15F3N2O2/c10-9(11,12)6-13-5-8(15)14-4-7-2-1-3-16-7/h7,13H,1-6H2,(H,14,15)
InChIKeyVZSQIHULEHXAIF-UHFFFAOYSA-N
MW240.22 g/mol
LogP0.43
Rot. Bonds5

About N-(oxolan-2-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide

N-(oxolan-2-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 78914767) has the molecular formula C9H15F3N2O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID78914767
Molecular FormulaC9H15F3N2O2
Molecular Weight240.22 g/mol
Exact Mass240.11
IUPAC NameN-(oxolan-2-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)NCC1CCCO1
InChIInChI=1S/C9H15F3N2O2/c10-9(11,12)6-13-5-8(15)14-4-7-2-1-3-16-7/h7,13H,1-6H2,(H,14,15)
InChIKeyVZSQIHULEHXAIF-UHFFFAOYSA-N
XLogP0.43
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(dimethylamino)propyl]-N'-(tetrahydrofuran-2-ylmethyl)ethanediamide
CID 3156710
Acetamide, N-tetrahydrofurfuryl-2,2,2-trifluoro-
CID 532126
2-[(Oxolan-2-ylmethyl)amino]-1-(pyrrolidin-1-yl)ethan-1-one
CID 3229576
N,N-dimethyl-2-(oxolan-2-ylmethylamino)acetamide
CID 3229579
2,2,3,3,4,4,4-heptafluoro-N-(oxolan-2-ylmethyl)butanamide
CID 5237136
N'-cyclopropyl-N-(oxolan-2-ylmethyl)oxamide
CID 551459
N'-(2-methylpropyl)-N-(oxolan-2-ylmethyl)oxamide
CID 3113995
N~1~-(2-hydroxyethyl)-N~2~-(tetrahydrofuran-2-ylmethyl)ethanediamide
CID 3113998
N-Butyl-N'-[(oxolan-2-YL)methyl]ethanediamide
CID 3499284
2,2,3,3,4,4,5,5,5-nonafluoro-N-(oxolan-2-ylmethyl)pentanamide
CID 4083879
2,2,3,3,4,4,4-heptafluoro-N-[[(2S)-oxolan-2-yl]methyl]butanamide
CID 40436336
2,2,3,3,4,4,4-heptafluoro-N-[[(2R)-oxolan-2-yl]methyl]butanamide
CID 40551150

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 78914767) is N-(oxolan-2-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide is O=C(CNCC(F)(F)F)NCC1CCCO1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is VZSQIHULEHXAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O2/c10-9(11,12)6-13-5-8(15)14-4-7-2-1-3-16-7/h7,13H,1-6H2,(H,14,15).
What are the key properties of N-(oxolan-2-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide?
N-(oxolan-2-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 240.22 g/mol, XLogP of 0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 78914767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).