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

C11H18F3NO2 — CID 90554681

IUPAC2-methyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C)C(=O)N(CC(F)(F)F)C1CCOCC1
InChIInChI=1S/C11H18F3NO2/c1-8(2)10(16)15(7-11(12,13)14)9-3-5-17-6-4-9/h8-9H,3-7H2,1-2H3
InChIKeyNVLFDEHJKRJPFN-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.21
Rot. Bonds3

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

2-methyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 90554681) has the molecular formula C11H18F3NO2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-methyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID90554681
Molecular FormulaC11H18F3NO2
Molecular Weight253.26 g/mol
Exact Mass253.13
IUPAC Name2-methyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(C)C(=O)N(CC(F)(F)F)C1CCOCC1
InChIInChI=1S/C11H18F3NO2/c1-8(2)10(16)15(7-11(12,13)14)9-3-5-17-6-4-9/h8-9H,3-7H2,1-2H3
InChIKeyNVLFDEHJKRJPFN-UHFFFAOYSA-N
XLogP2.21
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-methyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)propanamide (CID 90554681) is 2-methyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-methyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-methyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)propanamide is CC(C)C(=O)N(CC(F)(F)F)C1CCOCC1.
What is the InChIKey of 2-methyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is NVLFDEHJKRJPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO2/c1-8(2)10(16)15(7-11(12,13)14)9-3-5-17-6-4-9/h8-9H,3-7H2,1-2H3.
What are the key properties of 2-methyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)propanamide?
2-methyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 253.26 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 90554681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).