2,2,2-trifluoro-N-[3-[[2-(oxan-4-yl)acetyl]amino]propyl]acetamide

C12H19F3N2O3 — CID 108934940

IUPAC2,2,2-trifluoro-N-[3-[[2-(oxan-4-yl)acetyl]amino]propyl]acetamide
SMILESO=C(CC1CCOCC1)NCCCNC(=O)C(F)(F)F
InChIInChI=1S/C12H19F3N2O3/c13-12(14,15)11(19)17-5-1-4-16-10(18)8-9-2-6-20-7-3-9/h9H,1-8H2,(H,16,18)(H,17,19)
InChIKeyWYULAEDUGDKJGR-UHFFFAOYSA-N
MW296.29 g/mol
LogP0.99
Rot. Bonds6

About 2,2,2-trifluoro-N-[3-[[2-(oxan-4-yl)acetyl]amino]propyl]acetamide

2,2,2-trifluoro-N-[3-[[2-(oxan-4-yl)acetyl]amino]propyl]acetamide (PubChem CID 108934940) has the molecular formula C12H19F3N2O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[3-[[2-(oxan-4-yl)acetyl]amino]propyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[3-[[2-(oxan-4-yl)acetyl]amino]propyl]acetamide
PubChem CID108934940
Molecular FormulaC12H19F3N2O3
Molecular Weight296.29 g/mol
Exact Mass296.13
IUPAC Name2,2,2-trifluoro-N-[3-[[2-(oxan-4-yl)acetyl]amino]propyl]acetamide
SMILESO=C(CC1CCOCC1)NCCCNC(=O)C(F)(F)F
InChIInChI=1S/C12H19F3N2O3/c13-12(14,15)11(19)17-5-1-4-16-10(18)8-9-2-6-20-7-3-9/h9H,1-8H2,(H,16,18)(H,17,19)
InChIKeyWYULAEDUGDKJGR-UHFFFAOYSA-N
XLogP0.99
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]oxane-3-carboxamide
CID 71979287
2-(oxan-4-yl)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide
CID 58376679
2-[(3R)-oxolan-3-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 164768133
2-[(3S)-oxolan-3-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 164768137
N-[1-(5-ethoxypentyl)-3,3-difluoropiperidin-4-yl]-2-methylbutanamide;molecular hydrogen
CID 166466859
5-ethoxy-N-ethyl-2,2-difluoropentanamide
CID 169923750
2-(oxan-4-yl)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]acetamide
CID 71983917
N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]oxane-3-carboxamide
CID 71983937
(3S)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]oxane-3-carboxamide
CID 97586698
(3R)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]oxane-3-carboxamide
CID 97586699
(3S)-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]oxane-3-carboxamide
CID 97591430
(3R)-N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]oxane-3-carboxamide
CID 97591432

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[3-[[2-(oxan-4-yl)acetyl]amino]propyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[3-[[2-(oxan-4-yl)acetyl]amino]propyl]acetamide (CID 108934940) is 2,2,2-trifluoro-N-[3-[[2-(oxan-4-yl)acetyl]amino]propyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[3-[[2-(oxan-4-yl)acetyl]amino]propyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[3-[[2-(oxan-4-yl)acetyl]amino]propyl]acetamide is O=C(CC1CCOCC1)NCCCNC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[3-[[2-(oxan-4-yl)acetyl]amino]propyl]acetamide?
The InChIKey is WYULAEDUGDKJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O3/c13-12(14,15)11(19)17-5-1-4-16-10(18)8-9-2-6-20-7-3-9/h9H,1-8H2,(H,16,18)(H,17,19).
What are the key properties of 2,2,2-trifluoro-N-[3-[[2-(oxan-4-yl)acetyl]amino]propyl]acetamide?
2,2,2-trifluoro-N-[3-[[2-(oxan-4-yl)acetyl]amino]propyl]acetamide has a molecular weight of 296.29 g/mol, XLogP of 0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[3-[[2-(oxan-4-yl)acetyl]amino]propyl]acetamide is sourced from PubChem (CID 108934940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).