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

C10H16F3NO2 — CID 90554680

IUPACN-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCC(=O)N(CC(F)(F)F)C1CCOCC1
InChIInChI=1S/C10H16F3NO2/c1-2-9(15)14(7-10(11,12)13)8-3-5-16-6-4-8/h8H,2-7H2,1H3
InChIKeyZOJGATCFMJTHOX-UHFFFAOYSA-N
MW239.24 g/mol
LogP1.97
Rot. Bonds3

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

N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 90554680) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID90554680
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC NameN-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCC(=O)N(CC(F)(F)F)C1CCOCC1
InChIInChI=1S/C10H16F3NO2/c1-2-9(15)14(7-10(11,12)13)8-3-5-16-6-4-8/h8H,2-7H2,1H3
InChIKeyZOJGATCFMJTHOX-UHFFFAOYSA-N
XLogP1.97
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 51.97
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)propanamide?
The IUPAC name of N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)propanamide (CID 90554680) is N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)propanamide is CCC(=O)N(CC(F)(F)F)C1CCOCC1.
What is the InChIKey of N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is ZOJGATCFMJTHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO2/c1-2-9(15)14(7-10(11,12)13)8-3-5-16-6-4-8/h8H,2-7H2,1H3.
What are the key properties of N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)propanamide?
N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 239.24 g/mol, XLogP of 1.97, 3 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)propanamide is sourced from PubChem (CID 90554680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).