2-(oxan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide

C9H15F3N2O2 — CID 63742011

IUPAC2-(oxan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESNC(=O)C(NCC(F)(F)F)C1CCCOC1
InChIInChI=1S/C9H15F3N2O2/c10-9(11,12)5-14-7(8(13)15)6-2-1-3-16-4-6/h6-7,14H,1-5H2,(H2,13,15)
InChIKeyWTZNOBCCCAOQIS-UHFFFAOYSA-N
MW240.22 g/mol
LogP0.42
Rot. Bonds4

About 2-(oxan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide

2-(oxan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 63742011) has the molecular formula C9H15F3N2O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is 2-(oxan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound Name2-(oxan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID63742011
Molecular FormulaC9H15F3N2O2
Molecular Weight240.22 g/mol
Exact Mass240.11
IUPAC Name2-(oxan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESNC(=O)C(NCC(F)(F)F)C1CCCOC1
InChIInChI=1S/C9H15F3N2O2/c10-9(11,12)5-14-7(8(13)15)6-2-1-3-16-4-6/h6-7,14H,1-5H2,(H2,13,15)
InChIKeyWTZNOBCCCAOQIS-UHFFFAOYSA-N
XLogP0.42
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(ethylamino)-2-(oxan-3-yl)acetate
CID 63740064
2-(oxolan-3-yl)-2-(propan-2-ylamino)acetamide
CID 60788193
ethyl 2-(methylamino)-2-(oxan-3-yl)acetate
CID 63740066
2-[2-(diethylamino)ethylamino]-2-(oxolan-3-yl)acetamide
CID 61005294
2-(oxan-3-ylamino)-N-(2,2,2-trifluoroethyl)propanamide
CID 115713809
(2S)-2-(methoxymethylamino)-2-[(3R)-oxan-3-yl]acetic acid
CID 126599456
[5,5,5-trifluoro-1-(oxan-3-yl)pentyl]hydrazine
CID 105229920
2,2,2-trifluoroethyl N-(oxan-3-yl)carbamate
CID 63598108
2-(oxan-3-yl)-2-[3-[4-(trifluoromethoxy)phenyl]propanoylamino]acetic acid
CID 120547959
ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(oxan-3-yl)acetate
CID 71479909
methyl 2-[2-(diethylamino)ethylamino]-2-(oxan-3-yl)acetate
CID 63742191
(2S)-2-amino-2-(oxan-3-yl)acetic acid
CID 107134850

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of 2-(oxan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 63742011) is 2-(oxan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for 2-(oxan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for 2-(oxan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide is NC(=O)C(NCC(F)(F)F)C1CCCOC1.
What is the InChIKey of 2-(oxan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is WTZNOBCCCAOQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O2/c10-9(11,12)5-14-7(8(13)15)6-2-1-3-16-4-6/h6-7,14H,1-5H2,(H2,13,15).
What are the key properties of 2-(oxan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
2-(oxan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 240.22 g/mol, XLogP of 0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 63742011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).