N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)butanamide

C11H18F3NO2 — CID 90554679

IUPACN-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)butanamide
SMILESCCCC(=O)N(CC(F)(F)F)C1CCOCC1
InChIInChI=1S/C11H18F3NO2/c1-2-3-10(16)15(8-11(12,13)14)9-4-6-17-7-5-9/h9H,2-8H2,1H3
InChIKeyNLBQFIGAQNODTQ-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.36
Rot. Bonds4

About N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)butanamide

N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 90554679) has the molecular formula C11H18F3NO2 and a molecular weight of 253.26 g/mol. Its IUPAC name is N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID90554679
Molecular FormulaC11H18F3NO2
Molecular Weight253.26 g/mol
Exact Mass253.13
IUPAC NameN-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)butanamide
SMILESCCCC(=O)N(CC(F)(F)F)C1CCOCC1
InChIInChI=1S/C11H18F3NO2/c1-2-3-10(16)15(8-11(12,13)14)9-4-6-17-7-5-9/h9H,2-8H2,1H3
InChIKeyNLBQFIGAQNODTQ-UHFFFAOYSA-N
XLogP2.36
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)butanamide (CID 90554679) is N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)butanamide is CCCC(=O)N(CC(F)(F)F)C1CCOCC1.
What is the InChIKey of N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is NLBQFIGAQNODTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO2/c1-2-3-10(16)15(8-11(12,13)14)9-4-6-17-7-5-9/h9H,2-8H2,1H3.
What are the key properties of N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)butanamide?
N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 253.26 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 90554679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).