2,2-dimethyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)propanamide

C12H20F3NO2 — CID 90554683

IUPAC2,2-dimethyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C)(C)C(=O)N(CC(F)(F)F)C1CCOCC1
InChIInChI=1S/C12H20F3NO2/c1-11(2,3)10(17)16(8-12(13,14)15)9-4-6-18-7-5-9/h9H,4-8H2,1-3H3
InChIKeyTVAXGPJWSRDNEG-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.60
Rot. Bonds2

About 2,2-dimethyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)propanamide

2,2-dimethyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 90554683) has the molecular formula C12H20F3NO2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 2,2-dimethyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID90554683
Molecular FormulaC12H20F3NO2
Molecular Weight267.29 g/mol
Exact Mass267.14
IUPAC Name2,2-dimethyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C)(C)C(=O)N(CC(F)(F)F)C1CCOCC1
InChIInChI=1S/C12H20F3NO2/c1-11(2,3)10(17)16(8-12(13,14)15)9-4-6-18-7-5-9/h9H,4-8H2,1-3H3
InChIKeyTVAXGPJWSRDNEG-UHFFFAOYSA-N
XLogP2.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2,2-dimethyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)propanamide (CID 90554683) is 2,2-dimethyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2,2-dimethyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2,2-dimethyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)propanamide is CC(C)(C)C(=O)N(CC(F)(F)F)C1CCOCC1.
What is the InChIKey of 2,2-dimethyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is TVAXGPJWSRDNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO2/c1-11(2,3)10(17)16(8-12(13,14)15)9-4-6-18-7-5-9/h9H,4-8H2,1-3H3.
What are the key properties of 2,2-dimethyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)propanamide?
2,2-dimethyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 267.29 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 90554683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).